TPCN04672

Name Cimiside D
Molecular Formula C43H70O16
Molecular Weight 843.02
CAS Registry Number 158059-08-6
SMILES CC(=O)OC(C1CC(C)C2C(O)(O1)C(OC1OC(CO)C(O)C(O)C1O)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 0.000129% Planta Med 79(3-4): 301-307. 10.1055/s-0032-1328174
Properties
HBA 16 HBD 9
HeavyAtoms 59 AlogP 0.47
TPSA 254.52 RotatableBonds 8
FractionCSP3 0.98 Rings 8
AromaticRings 0 AliphaticRings 8