TPCN04250

Name Polygalasaponin II
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 162857-62-7
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Polygalaceae Polygala japonica Roots 0.004000% Fitoterapia 83(7): 1184-1190. 10.1016/j.fitote.2012.07.002
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -0.89
TPSA 315.21 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8