TPCN04324
Name | Clematiunicinoside A;Clematomandshurica saponins J |
Molecular Formula | C70H114O34 |
Molecular Weight | 1499.65 |
CAS Registry Number | 1609198-25-5 |
SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis uncinata | Roots | 0.001700% | Chem Pharm Bull (Tokyo) 62(1): 35-44. | 10.1248/cpb.c13-00269 |
Ranunculaceae | Clematis mandshurica | Roots | 0.000580% | Planta Med. 2013. 79, 987-994. | 10.1055/s-0032-1328657. |
Properties
HBA | 34 | HBD | 19 |
HeavyAtoms | 104 | AlogP | -5.23 |
TPSA | 530.66 | RotatableBonds | 17 |
FractionCSP3 | 0.96 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |