TPCN04593

Name (23R,24S)-cimigenol 3-O-???D-xylopyranoside
Molecular Formula C35H56O8
Molecular Weight 604.83
CAS Registry Number 1448899-79-3
SMILES C=C(C)C1OC23OC1CC(C)C2C1(C)CCC2C(CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC24C)C1(C)C3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga heracleifolia Subterraneous stems 0.000210% Planta Med 78(12): 1391-1394. 10.1055/s-0032-1314980
Properties
HBA 8 HBD 4
HeavyAtoms 43 AlogP 4.17
TPSA 117.84 RotatableBonds 3
FractionCSP3 0.94 Rings 7
AromaticRings 0 AliphaticRings 7