TPCN03666
Name | Clemhthngoticosides H |
Molecular Formula | C85H130O43 |
Molecular Weight | 1839.93 |
CAS Registry Number | 1951480-17-3 |
SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(OC%10OC(CO)C(OC%11OC(CO)C(O)C(O)C%11OC(=O)C=Cc%11ccc(O)c(O)c%11)C(O)C%10O)C(O)C9O)C8O)C(C)(CO)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 tangutica | Whole plants | 0.001280% | Phytochemistry 130, 228-237 (2016). | 10.1016/j.phytochem.2016.05.009 |
Properties
HBA | 43 | HBD | 24 |
HeavyAtoms | 128 | AlogP | -6.76 |
TPSA | 676.57 | RotatableBonds | 24 |
FractionCSP3 | 0.86 | Rings | 14 |
AromaticRings | 1 | AliphaticRings | 13 |