TPCN03810
Name | (3??)-3-[(4-O-??-D-Glucopyranosyl-??-D-glucopyranosyl)oxy]olean-12-en-28-oic acid |
Molecular Formula | C42H68O13 |
Molecular Weight | 780.99 |
CAS Registry Number | 60299-42-5 |
SMILES | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Derris eriocarpa | Stems | 0.000583% | J Agric Food Chem 65, 2357-2363 (2017). | 10.1021/acs.jafc.7b00137 |
Properties
HBA | 13 | HBD | 8 |
HeavyAtoms | 55 | AlogP | 2.88 |
TPSA | 215.83 | RotatableBonds | 7 |
FractionCSP3 | 0.93 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |