TPCN05738

Name Cimiracemosides E
Molecular Formula C37H58O11
Molecular Weight 678.86
CAS Registry Number 290821-40-8
SMILES CC(=O)OC(C1CC(CO)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21C)C(C)(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Whole plants 0.001500% J Nat Prod. 2000 Jul;63(7):905-10. 10.1021/np000047y.
Properties
HBA 11 HBD 5
HeavyAtoms 48 AlogP 2.51
TPSA 172.21 RotatableBonds 6
FractionCSP3 0.95 Rings 7
AromaticRings 0 AliphaticRings 7