TPCN04449
Name | Pulsatilloside E |
Molecular Formula | C65H106O31 |
Molecular Weight | 1383.53 |
CAS Registry Number | 366814-43-9 |
SMILES | C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C12 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Pulsatilla koreana | Roots | 0.000600% | Molecules 18(5): 5306-5316. | 10.3390/molecules18055306 |
Properties
HBA | 31 | HBD | 18 |
HeavyAtoms | 96 | AlogP | -4.86 |
TPSA | 491.97 | RotatableBonds | 17 |
FractionCSP3 | 0.95 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |