TPCN05116

Name Cimiracemosides N
Molecular Formula C37H56O10
Molecular Weight 660.85
CAS Registry Number 473554-78-8
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Roots 0.000375% J Nat Prod 65, 1391-1397 (2002) 10.1021/np0200818
Properties
HBA 10 HBD 3
HeavyAtoms 47 AlogP 3.71
TPSA 136.44 RotatableBonds 3
FractionCSP3 0.97 Rings 9
AromaticRings 0 AliphaticRings 9