TPCN05420

Name Clematomandshurica saponins G
Molecular Formula C77H126O39
Molecular Weight 1675.82
CAS Registry Number 1609198-21-1
SMILES CC1OC(OC2C(OC3C(CO)OC(OCC4OC(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CCC(OC9OCC(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9OC9OC(C)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(C)C8CCC7(C)C5(C)CC6)C(O)C(O)C4O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis mandshurica Roots 0.001180% Planta Med. 2013. 79, 987-994. 10.1055/s-0032-1328657.
Properties
HBA 39 HBD 22
HeavyAtoms 116 AlogP -7.02
TPSA 609.81 RotatableBonds 20
FractionCSP3 0.96 Rings 13
AromaticRings 0 AliphaticRings 13