TPCN05350
Name | Foetidissimoside B |
Molecular Formula | C63H100O31 |
Molecular Weight | 1353.46 |
CAS Registry Number | 252979-60-5 |
SMILES | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Cucurbitaceae | Cucurbita foetidissima | Roots | 0.003000% | J Nat Prod. 2000. 63, 122-124. | 10.1021/np9902800. |
Properties
HBA | 31 | HBD | 17 |
HeavyAtoms | 94 | AlogP | -4.38 |
TPSA | 488.81 | RotatableBonds | 14 |
FractionCSP3 | 0.94 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |