TPCN05855

Name Cimifosides D
Molecular Formula C42H64O14
Molecular Weight 792.96
CAS Registry Number 1053240-51-9
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(OC5OCC(O)C(O)C5O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000064% Molecules. 2008 Aug 13;13(8):1712-21. 10.3390/molecules13081712.
Properties
HBA 14 HBD 5
HeavyAtoms 56 AlogP 2.17
TPSA 195.36 RotatableBonds 5
FractionCSP3 0.98 Rings 10
AromaticRings 0 AliphaticRings 10