TPCN05709
Name | Clematichinenoside B |
Molecular Formula | C70H114O35 |
Molecular Weight | 1515.65 |
CAS Registry Number | 165245-12-5 |
SMILES | CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis chinensis | Roots | 0.003714% | Phytochemistry. 1995 Apr;38(6):1473-9. | 10.1016/0031-9422(94)00899-5. |
Properties
HBA | 35 | HBD | 20 |
HeavyAtoms | 105 | AlogP | -6.26 |
TPSA | 550.89 | RotatableBonds | 18 |
FractionCSP3 | 0.96 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |