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