Q105313827

[object Object]
Name2-{[2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-({[2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
WikidataQ105313827
Mol. formulaC30H52O26
CAS registry number-
Mol. weight828.7195

Representations

Temporary LOTUS idLTS0233418
Name2-{[2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-({[2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
Canonical SMILESOCC1OC(CO)(OCC2(OCC3OC(OC4(COC5(CO)OC(CO)C(O)C5O)OC(CO)C(O)C4O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O
2D SMILESOCC1OC(CO)(OCC2(OCC3OC(OC4(COC5(CO)OC(CO)C(O)C5O)OC(CO)C(O)C4O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O
IUPAC name2-{[2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-({[2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
InChIInChI=1S/C30H52O26/c31-1-10-16(38)22(44)27(6-35,52-10)49-8-29(24(46)18(40)12(3-33)54-29)48-5-14-15(37)20(42)21(43)26(51-14)56-30(25(47)19(41)13(4-34)55-30)9-50-28(7-36)23(45)17(39)11(2-32)53-28/h10-26,31-47H,1-9H2
InChIKeyWVWDDRFCJKOMSC-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asparagaceae  Asparagus  Asparagus officinalis Wikidata logo
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Chemical ontology


PathwaySuperclassClass
CarbohydratesSaccharidesPolysaccharides

Molecular Properties

Total atom number108
Heavy atom number56
Bond count60
Number of carbons30
Minimal number of rings5
Maximal number of rings5

Molecular Descriptors

NP-likeness score NaN
Alogp-9.7
Alogp294.12
Apol 108.3252
Bpol 74.0908
EccentricConnectivityIndexDescriptor 1920
FmfDescriptor 0.5893
Fsp3 1
FragmentComplexityDescriptor 9464.26
PetitjeanNumber 0.4762
LipinskiRuleOf5Failures 4
WienerPathNumber13024
Xlogp -8.017
ZagrebIndex 306
TopoPSA 426.98