TPCN05327
Name | Olean-12-en-28-oic acid, 22-(acetyloxy)-3-[(O-??-L-arabinopyranosyl-(1??4)-O-[??-D-glucopyranosyl-(1??2)]-??-D-glucopyranosyl)oxy]-23-hydroxy-21-[[(2E,6S)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]oxy]-, (3??,4??,21??,22??)- (ACI) |
Molecular Formula | C59H92O23 |
Molecular Weight | 1169.36 |
CAS Registry Number | 2109789-84-4 |
SMILES | C=CC(C)(O)CCC=C(C)C(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Biebersteiniaceae | Billia rosea | Seeds | 0.004457% | Phytochemistry. 2017. 141, 105-113. | 10.1016/j.phytochem.2017.04.023 |
Properties
HBA | 23 | HBD | 12 |
HeavyAtoms | 82 | AlogP | 1.04 |
TPSA | 367.81 | RotatableBonds | 17 |
FractionCSP3 | 0.85 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |