TPCN04018
Name | Xanifolia-Y10;Aesculioside IV-23D1 |
Molecular Formula | C57H88O22 |
Molecular Weight | 1125.31 |
CAS Registry Number | 852361-62-7 |
SMILES | CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapindaceae | Xanthoceras sorbifolia | Hooks | 0.005000% | J Nat Prod 71, 1247-1250 (2008). | 10.1021/np070577v |
Ranunculaceae | Souliea vaginata | Whole plants | 0.000142% | Chem Pharm Bull (Tokyo) 52, 622-624 (2004). | 10.1248/cpb.52.622 |
Properties
HBA | 22 | HBD | 11 |
HeavyAtoms | 79 | AlogP | 1.29 |
TPSA | 347.58 | RotatableBonds | 14 |
FractionCSP3 | 0.84 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |