TPCN05764

Name Cimiracemosides D
Molecular Formula C37H58O11
Molecular Weight 678.86
CAS Registry Number 290821-39-5
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)C(O)C34OC(CC(C)C3C12C)C(C(C)(C)O)O4
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Whole plants 0.000700% J Nat Prod. 2000 Jul;63(7):905-10. 10.1021/np000047y.
Properties
HBA 11 HBD 5
HeavyAtoms 48 AlogP 2.66
TPSA 164.37 RotatableBonds 4
FractionCSP3 0.97 Rings 8
AromaticRings 0 AliphaticRings 8