TPCN03644
Name | Clemdtdngoticosides D |
Molecular Formula | C60H98O27 |
Molecular Weight | 1251.42 |
CAS Registry Number | 1951480-13-9 |
SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(O)C(C)(COC8OC(CO)C(O)C(O)C8O)C7CCC6(C)C4(C)CC5)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis tangutica | Whole plants | 0.001440% | Phytochemistry 130, 228-237 (2016). | 10.1016/j.phytochem.2016.05.009 |
Properties
HBA | 27 | HBD | 16 |
HeavyAtoms | 87 | AlogP | -3.18 |
TPSA | 433.05 | RotatableBonds | 14 |
FractionCSP3 | 0.95 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |