Temporary LOTUS id | LTS0177446 |
Name | (3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
Canonical SMILES | COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)cc(OC)c1O |
2D SMILES | COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)cc(OC)c1O |
IUPAC name | (3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
InChI | InChI=1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-18-12-21(47-3)32(49-5)22(13-18)48-4/h6-13,23-24,28-31,33-34,36-37,40-44H,14-16H2,1-5H3 |
InChIKey | PMGMZCFZCYRJAG-UHFFFAOYSA-N |
Deep SMILES | could not be computed |
Murcko Framework | c1ccccc1.c1ccccc1 |