TPCN04223
Name | Pulsatilloside F |
Molecular Formula | C77H126O40 |
Molecular Weight | 1691.82 |
CAS Registry Number | 1377188-20-9 |
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(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)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 | Pulsatilla koreana | Roots | 0.006500% | Molecules 18(5): 5306-5316. | 10.3390/molecules18055306 |
Properties
HBA | 40 | HBD | 23 |
HeavyAtoms | 117 | AlogP | -8.04 |
TPSA | 630.04 | RotatableBonds | 21 |
FractionCSP3 | 0.96 | Rings | 13 |
AromaticRings | 0 | AliphaticRings | 13 |