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