TPCN05783

Name Saponins 4
Molecular Formula C52H84O20
Molecular Weight 1029.22
CAS Registry Number 72629-77-7
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis chinensis Roots 0.000486% Phytochemistry. 1995 Apr;38(6):1473-9. 10.1016/0031-9422(94)00899-5.
Properties
HBA 20 HBD 11
HeavyAtoms 72 AlogP 0.84
TPSA 313.44 RotatableBonds 10
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9