TPCN03568
Name | 3-O-{[beta-D-glucopyranosyl (1-->2)]-[beta-d-glucopyranosyl (1-->3)-beta-d-glucopyranosyl (1-->3)]-beta-D-glucopyranosyl} oleanolic acid 28-O-beta-D-glucopyranosyl ester |
Molecular Formula | C60H98O28 |
Molecular Weight | 1267.42 |
CAS Registry Number | 344911-90-6 |
SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapotaceae | Madhuca longifolia | Seeds | 0.002500% | J Nat Prod, 2000, 63, 1679-1681. | 10.1021/np000351r |
Properties
HBA | 28 | HBD | 17 |
HeavyAtoms | 88 | AlogP | -4.21 |
TPSA | 453.28 | RotatableBonds | 15 |
FractionCSP3 | 0.95 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |