TPCN05498
Name | Yemuoside YM22 |
Molecular Formula | C63H100O29 |
Molecular Weight | 1321.46 |
CAS Registry Number | 1051938-86-3 |
SMILES | C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Lardizabalaceae | Stauntonia chinensis | Stems | 0.000424% | Magn Reson Chem. 2008. 46, 630-637. | 10.1002/mrc.2222. |
Properties
HBA | 29 | HBD | 16 |
HeavyAtoms | 92 | AlogP | -3.52 |
TPSA | 451.51 | RotatableBonds | 14 |
FractionCSP3 | 0.92 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |