TPCN03586
Name | ??-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-??-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate] |
Molecular Formula | C35H44O19 |
Molecular Weight | 768.72 |
CAS Registry Number | 139726-37-7 |
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 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Aquifoliaceae | Ilex kudingcha | Leaves | 0.002167% | J Asian Nat Prod Res 14, 308-313 (2012). | 10.1080/10286020.2011.653347 |
Properties
HBA | 19 | HBD | 7 |
HeavyAtoms | 54 | AlogP | -1.12 |
TPSA | 268.05 | RotatableBonds | 16 |
FractionCSP3 | 0.49 | Rings | 4 |
AromaticRings | 2 | AliphaticRings | 2 |