TPCN04230
Name | Hederacholichiside F |
Molecular Formula | C65H106O31 |
Molecular Weight | 1383.53 |
CAS Registry Number | 68027-14-5 |
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(O)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 | Pulsatilla koreana | Roots | 0.005500% | Molecules 18(5): 5306-5316. | 10.3390/molecules18055306 |
Properties
HBA | 31 | HBD | 18 |
HeavyAtoms | 96 | AlogP | -4.72 |
TPSA | 491.97 | RotatableBonds | 16 |
FractionCSP3 | 0.95 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |