TPCN04408

Name 24-epi-24-O-acetylhydroshengmanol 3-O-???D-xylopyranoside
Molecular Formula C37H60O11
Molecular Weight 680.88
CAS Registry Number 78213-32-8
SMILES CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21C)C(C)(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga heracleifolia Subterraneous stems 0.000800% Planta Med 78(12): 1391-1394. 10.1055/s-0032-1314980
Properties
HBA 11 HBD 6
HeavyAtoms 48 AlogP 2.65
TPSA 175.37 RotatableBonds 5
FractionCSP3 0.97 Rings 7
AromaticRings 0 AliphaticRings 7