TPCN05180

Name Cimiracemosides K
Molecular Formula C37H56O10
Molecular Weight 660.85
CAS Registry Number 473554-75-5
SMILES C=C(C)C1OC23OC1CC(C)C2C1(C)C(OC(C)=O)CC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Roots 0.000118% J Nat Prod 65, 1391-1397 (2002) 10.1021/np0200818
Properties
HBA 10 HBD 4
HeavyAtoms 47 AlogP 3.47
TPSA 144.14 RotatableBonds 4
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8