TPCN05467

Name Polygalasaponin L
Molecular Formula C64H100O34
Molecular Weight 1413.47
CAS Registry Number 1033593-10-0
SMILES CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CC(=O)C4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(OC4OCC(O)(COC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Polygalaceae Polygala japonica Roots 0.000600% Phytochemistry. 2008. 69, 1617-1624. 10.1016/j.phytochem.2008.01.010
Properties
HBA 34 HBD 19
HeavyAtoms 98 AlogP -6.87
TPSA 546.34 RotatableBonds 17
FractionCSP3 0.92 Rings 11
AromaticRings 0 AliphaticRings 11