TPCN05958
Name | Physenoside S5 |
Molecular Formula | C78H128O33 |
Molecular Weight | 1593.85 |
CAS Registry Number | 1191300-13-6 |
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)OCC(OC(=O)CCCCCCC(=O)CCCCCCCCOC3OCC(O)C(O)C3O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Physenaceae | Physena sessiliflora | Leaves | 0.007000% | Phytochemistry . 2009 Jun;70(9):1195-1202 | 10.1016/j.phytochem.2009.06.002 |
Properties
HBA | 33 | HBD | 17 |
HeavyAtoms | 111 | AlogP | -0.67 |
TPSA | 515.11 | RotatableBonds | 31 |
FractionCSP3 | 0.94 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |