TPCN05480

Name Clematomandshurica saponins K
Molecular Formula C74H112O32
Molecular Weight 1513.68
CAS Registry Number 1609198-26-6
SMILES COc1ccc(C=CC(=O)OC2C(OC3COC(OC4C(O)C(C)OC(OC5C(OC6CCC7(C)C(CCC8(C)C7CC=C7C9CC(C)(C)CCC9(C(=O)O)CCC78C)C6(C)C)OCC(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C(O)C3O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)cc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis mandshurica Roots 0.000560% Planta Med. 2013. 79, 987-994. 10.1055/s-0032-1328657.
Properties
HBA 32 HBD 16
HeavyAtoms 106 AlogP -0.51
TPSA 487.04 RotatableBonds 19
FractionCSP3 0.84 Rings 12
AromaticRings 1 AliphaticRings 11