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 |