LOTUS: Natural Products Online

Q103818952

Name	2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Wikidata	Q103818952
Mol. formula	C34H46O18
CAS registry number	-
Mol. weight	742.7196

Representations

Temporary LOTUS id	LTS0011685
Name	2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1OC1OC(CO)C(O)C(O)C1O
2D SMILES	COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1OC1OC(CO)C(O)C(O)C1O
IUPAC name	2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI	InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3
InChIKey	FFDULTAFAQRACT-UHFFFAOYSA-N
Deep SMILES	could not be computed
Murcko Framework	O1CC2C(OCC2C1c3ccccc3)c4ccccc4

Organism taxonomy

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Kingdom	Family	Genus	Species
Plantae	Euphorbiaceae	Sauropus	Sauropus androgynus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Phyllanthaceae	Sauropus	Sauropus androgynus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Phyllanthaceae	Sauropus	Sauropus androgynus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Phyllanthaceae	Breynia	Breynia androgyna

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Bignoniaceae	Crescentia	Crescentia cujete

Kingdom	Family	Genus	Species
Plantae	Bignoniaceae	Crescentia	Crescentia cujete

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Bignoniaceae	Crescentia	Crescentia cujete

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Bignoniaceae	Crescentia	Crescentia cujete

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Bignoniaceae	Crescentia	Crescentia cujete

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Orobanchaceae	Cistanche	Cistanche salsa

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Orobanchaceae	Cistanche	Cistanche salsa

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Orobanchaceae	Cistanche	Cistanche salsa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Euphorbiaceae	Mallotus	Mallotus macrostachyus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Euphorbiaceae	Mallotus	Mallotus macrostachyus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Mallotus	Mallotus macrostachyus

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Kalopanax	Kalopanax septemlobus

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Kalopanax	Kalopanax septemlobus

Family	Genus	Species
Araliaceae	Kalopanax	Kalopanax septemlobus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Kalopanax	Kalopanax septemlobus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Kalopanax	Kalopanax septemlobus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Kalopanax	Kalopanax septemlobus

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Asparagaceae	Nolina	Nolina microcarpa

Kingdom	Family	Genus	Species
Plantae	Asparagaceae	Nolina	Nolina microcarpa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asparagaceae	Nolina	Nolina microcarpa

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Asparagaceae	Nolina	Nolina microcarpa

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Asparagaceae	Nolina	Nolina microcarpa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Magnoliaceae	Magnolia	Magnolia obovata

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Magnoliaceae	Magnolia	Magnolia obovata

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Magnoliaceae	Magnolia	Magnolia obovata

Ref:

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Plantaginaceae	Linaria	Linaria vulgaris

Kingdom	Family	Genus	Species
Plantae	Plantaginaceae	Linaria	Linaria vulgaris

Family	Genus	Species
Plantaginaceae	Linaria	Linaria vulgaris

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Plantaginaceae	Linaria	Linaria vulgaris

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Plantaginaceae	Linaria	Linaria vulgaris

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Plantaginaceae	Linaria	Linaria vulgaris

Ref:

Kingdom	Family	Genus	Species
Plantae	Oleaceae	Osmanthus	Osmanthus fortunei

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Oleaceae	Osmanthus	Osmanthus fortunei

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Oleaceae	Osmanthus	Osmanthus fortunei

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Oleaceae	Osmanthus	Osmanthus fortunei

Ref:

Kingdom	Family	Genus	Species
Plantae	Eucommiaceae	Eucommia	Eucommia ulmoides

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Eucommiaceae	Eucommia	Eucommia ulmoides

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Albizia	Albizia julibrissin

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Plocama	Plocama calabrica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Icacinaceae	Iodes	Iodes cirrhosa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Plantaginaceae	Penstemon	Penstemon deustus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Nyctaginaceae	Boerhavia	Boerhavia diffusa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Campanulaceae	Campanula	Campanula medium
Plantae	Tracheophyta	Berberidaceae	Epimedium	Epimedium grandiflorum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Berberidaceae	Epimedium	Epimedium grandiflorum
Eukaryota	Archaeplastida	Streptophyta	Campanulaceae	Campanula	Campanula medium

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Berberidaceae	Epimedium	Epimedium grandiflorum
Eukaryota	Viridiplantae	Streptophyta	Campanulaceae	Campanula	Campanula medium

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Berberidaceae	Epimedium	Epimedium grandiflorum
Plantae	Tracheophyta	Campanulaceae	Campanula	Campanula medium

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Santalaceae	Viscum	Viscum album

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ericaceae	Pyrola	Pyrola japonica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Loganiaceae	Strychnos	Strychnos axillaris

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Loganiaceae	Strychnos	Strychnos axillaris
Plantae	Tracheophyta	Loganiaceae	Strychnos	Strychnos axillaris

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Oleaceae	Ligustrum	Ligustrum sinense

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Orobanchaceae	Cistanche	Cistanche tubulosa
Eukaryota	Archaeplastida	Streptophyta	Orobanchaceae	Cistanche	Cistanche mongolica

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Orobanchaceae	Cistanche	Cistanche mongolica
Plantae	Tracheophyta	Orobanchaceae	Cistanche	Cistanche tubulosa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Coleogyne	Coleogyne ramosissima

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Annonaceae	Porcelia	Porcelia macrocarpa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Santalaceae	Viscum	Viscum album

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Thymelaeaceae	Daphne	Daphne giraldii

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Phellodendron	Phellodendron amurense

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus brachypus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lamiaceae	Phlomis	Phlomis aurea

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Coleogyne	Coleogyne ramosissima

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Luehea	Luehea candicans

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Oleaceae	Syringa	Syringa reticulata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Salvadoraceae	Salvadora	Salvadora persica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Kalopanax	Kalopanax septemlobus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Plantaginaceae	Globularia	Globularia trichosantha

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Magnoliaceae	Magnolia	Magnolia coco

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lamiaceae	Phlomis	Phlomis brunneogaleata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rubiaceae	Galium	Galium sinaicum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Plantaginaceae	Globularia	Globularia alypum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lardizabalaceae	Sargentodoxa	Sargentodoxa cuneata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Magnoliaceae	Liriodendron	Liriodendron tulipifera

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Thymelaeaceae	Daphne	Daphne feddei

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lardizabalaceae	Sargentodoxa	Sargentodoxa cuneata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lythraceae	Lawsonia	Lawsonia inermis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apocynaceae	Plumeria	Plumeria rubra

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus trifoliatus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Annonaceae	Annona	Annona cherimola

Ref:

Chemical ontology

Pathway	Superclass	Class
Shikimates and Phenylpropanoids	Lignans	Furofuranoid lignans

Molecular Properties

Total atom number	98
Heavy atom number	52
Bond count	57
Number of carbons	34
Minimal number of rings	6
Maximal number of rings	7

Molecular Descriptors

NP-likeness score	1
Alogp	-1.71
Alogp2	2.92
Apol	104.9485
Bpol	69.4475
EccentricConnectivityIndexDescriptor	1992
FmfDescriptor	0.6538
Fsp3	0.6471
FragmentComplexityDescriptor	7957.18
PetitjeanNumber	0.4783
LipinskiRuleOf5Failures	4
WienerPathNumber	11885
Xlogp	-0.532
ZagrebIndex	282
TopoPSA	254.14

Kingdom	Superclass	Class	Direct Parent
Organic compounds	Lignans, neolignans and related compounds	Lignan glycosides	Lignan glycosides