TPCN05699

Name Cimiracemosides B
Molecular Formula C35H56O10
Molecular Weight 636.82
CAS Registry Number 290821-38-4
SMILES CC(C)(O)C1OC23OC1CC(CO)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Whole plants 0.006200% J Nat Prod. 2000 Jul;63(7):905-10. 10.1021/np000047y.
Properties
HBA 10 HBD 6
HeavyAtoms 45 AlogP 2.09
TPSA 158.30 RotatableBonds 4
FractionCSP3 1.00 Rings 8
AromaticRings 0 AliphaticRings 8