TPCN05711

Name Cimiracemosides C
Molecular Formula C35H56O9
Molecular Weight 620.82
CAS Registry Number 256925-92-5
SMILES CC1CC2OC3(OC2C(C)(C)O)C1C1(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 0.003300% J Nat Prod. 2000 Jul;63(7):905-10. 10.1021/np000047y.
Properties
HBA 9 HBD 5
HeavyAtoms 44 AlogP 3.12
TPSA 138.07 RotatableBonds 3
FractionCSP3 1.00 Rings 8
AromaticRings 0 AliphaticRings 8