TPCN05196

Name Cimiracemosides L
Molecular Formula C39H60O11
Molecular Weight 704.90
CAS Registry Number 473554-76-6
SMILES CC(=O)OC1COC(OC2CCC34CC35CCC3(C)C(C(C)CC(OC(C)=O)C6OC6(C)C)C(=O)C(O)C3(C)C5CCC4C2(C)C)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Roots 0.000088% J Nat Prod 65, 1391-1397 (2002) 10.1021/np0200818
Properties
HBA 11 HBD 3
HeavyAtoms 50 AlogP 4.11
TPSA 161.35 RotatableBonds 8
FractionCSP3 0.92 Rings 7
AromaticRings 0 AliphaticRings 7