TPCN05709

Name Clematichinenoside B
Molecular Formula C70H114O35
Molecular Weight 1515.65
CAS Registry Number 165245-12-5
SMILES CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis chinensis Roots 0.003714% Phytochemistry. 1995 Apr;38(6):1473-9. 10.1016/0031-9422(94)00899-5.
Properties
HBA 35 HBD 20
HeavyAtoms 105 AlogP -6.26
TPSA 550.89 RotatableBonds 18
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12