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