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