TPCN05211

Name Cimiracemosides P
Molecular Formula C37H54O11
Molecular Weight 674.83
CAS Registry Number 473554-80-2
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(=O)C1(C)OC41
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Roots 0.000064% J Nat Prod 65, 1391-1397 (2002) 10.1021/np0200818
Properties
HBA 11 HBD 3
HeavyAtoms 48 AlogP 3.24
TPSA 153.51 RotatableBonds 3
FractionCSP3 0.95 Rings 9
AromaticRings 0 AliphaticRings 9