TPCN03862

Name Saponins 7;Clematoside S
Molecular Formula C46H74O16
Molecular Weight 883.08
CAS Registry Number 72629-76-6
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Sinocrassula asclepiadea Roots 0.000444% Chem Pharm Bull (Tokyo) 52, 230-237 (2004). 10.1248/cpb.52.230
Ranunculaceae Clematis chinensis Roots 0.000214% Phytochemistry. 1995 Apr;38(6):1473-9. 10.1016/0031-9422(94)00899-5.
Properties
HBA 16 HBD 9
HeavyAtoms 62 AlogP 1.98
TPSA 254.52 RotatableBonds 8
FractionCSP3 0.93 Rings 8
AromaticRings 0 AliphaticRings 8