TPCN03956
Name | 2alpha,3beta,19alpha,23-tetrahydroxy-olean-12-en-28-oic acid-3-O-beta-D-glucopyranosyl-28-O-beta-D-glucopyranosyl ester |
Molecular Formula | C42H68O16 |
Molecular Weight | 828.99 |
CAS Registry Number | 82843-99-0 |
SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Souliea vaginata | Whole plants | 0.000240% | Chem Pharm Bull (Tokyo) 52, 622-624 (2004). | 10.1248/cpb.52.622 |
Properties
HBA | 16 | HBD | 11 |
HeavyAtoms | 58 | AlogP | -0.77 |
TPSA | 276.52 | RotatableBonds | 7 |
FractionCSP3 | 0.93 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |