TPCN04527

Name Anemoside B4
Molecular Formula C59H96O26
Molecular Weight 1221.39
CAS Registry Number 129741-57-7
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(O)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 0.000350% Molecules 18(5): 5306-5316. 10.3390/molecules18055306
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.69
TPSA 412.82 RotatableBonds 14
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10