TPCN05707

Name Cimiracemosides G
Molecular Formula C37H56O11
Molecular Weight 676.84
CAS Registry Number 289632-43-5
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Whole plants 0.004300% J Nat Prod. 2000 Jul;63(7):905-10. 10.1021/np000047y.
Properties
HBA 11 HBD 5
HeavyAtoms 48 AlogP 2.58
TPSA 164.37 RotatableBonds 3
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8