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 |