TPCN05590

Name Yemuoside YM12
Molecular Formula C51H80O21
Molecular Weight 1029.18
CAS Registry Number 124729-28-8
SMILES C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Stauntonia chinensis Stems 0.000102% Magn Reson Chem. 2008. 46, 630-637. 10.1002/mrc.2222.
Properties
HBA 21 HBD 12
HeavyAtoms 72 AlogP -1.23
TPSA 333.67 RotatableBonds 10
FractionCSP3 0.90 Rings 9
AromaticRings 0 AliphaticRings 9