TPCN05819

Name Cimifosides A
Molecular Formula C40H64O13
Molecular Weight 752.94
CAS Registry Number 910114-83-9
SMILES CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)CCC56CC46CCC3(C)C21
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000184% Molecules. 2008 Aug 13;13(8):1712-21. 10.3390/molecules13081712.
Properties
HBA 13 HBD 7
HeavyAtoms 53 AlogP 1.58
TPSA 196.99 RotatableBonds 4
FractionCSP3 1.00 Rings 9
AromaticRings 0 AliphaticRings 9