TPCN04712

Name Xanthohuskiside B
Molecular Formula C60H100O29
Molecular Weight 1285.43
CAS Registry Number 1355077-72-3
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Husks 0.000090% Nat Prod Res 27(3): 232-237. 10.1080/14786419.2012.671316
Properties
HBA 29 HBD 19
HeavyAtoms 89 AlogP -5.80
TPSA 476.67 RotatableBonds 16
FractionCSP3 0.97 Rings 10
AromaticRings 0 AliphaticRings 10