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 |