TPCN05479

Name Clematomandshurica saponins H
Molecular Formula C82H134O43
Molecular Weight 1807.93
CAS Registry Number 1609198-23-3
SMILES CC1OC(OCC2OC(OC3COC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(COC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C(O)C(O)C7O)CCC56C)C4(C)C)C(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
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 43 HBD 24
HeavyAtoms 125 AlogP -8.55
TPSA 668.73 RotatableBonds 22
FractionCSP3 0.96 Rings 14
AromaticRings 0 AliphaticRings 14