TPCN05574
Name | 30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(O-??-L-arabinopyranosyl-(1??2)-O-[??-D-glucopyranuronosyl-(1??4)]-??-L-arabinopyranosyl)oxy]-23-hydroxy-, (3??,4??)- (9CI) |
Molecular Formula | C45H68O18 |
Molecular Weight | 897.02 |
CAS Registry Number | 365541-53-3 |
SMILES | C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Lardizabalaceae | Holboellia fargesii | Roots | 0.000125% | Chem Pharm Bull (Tokyo). 2001. 49, 999-1002 | 10.1248/cpb.49.999 |
Properties
HBA | 18 | HBD | 10 |
HeavyAtoms | 63 | AlogP | 0.58 |
TPSA | 291.82 | RotatableBonds | 9 |
FractionCSP3 | 0.87 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |