TPCN04366
Name | Desaylsenegasaponin C |
Molecular Formula | C67H106O35 |
Molecular Weight | 1471.55 |
CAS Registry Number | 945674-72-6 |
SMILES | CC(=O)OCC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C2OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Polygalaceae | Polygala tenuifolia | Roots | 0.001133% | J Asian Nat Prod Res 8(6): 499-503. | 10.1080/10286020500173358 |
Properties
HBA | 35 | HBD | 19 |
HeavyAtoms | 102 | AlogP | -6.11 |
TPSA | 555.57 | RotatableBonds | 18 |
FractionCSP3 | 0.93 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |