TPCN05911
Name | Physenoside S3 |
Molecular Formula | C63H102O30 |
Molecular Weight | 1339.48 |
CAS Registry Number | 1191300-11-4 |
SMILES | CC1OC(OC2C(O)C(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)OCC(O)C3OC3OCC(O)C(O)C3O)OC(C)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Physenaceae | Physena sessiliflora | Leaves | 0.064000% | Phytochemistry . 2009 Jun;70(9):1195-1202 | 10.1016/j.phytochem.2009.06.002 |
Properties
HBA | 30 | HBD | 17 |
HeavyAtoms | 93 | AlogP | -4.47 |
TPSA | 471.74 | RotatableBonds | 14 |
FractionCSP3 | 0.95 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |