TPCN05212

Name Cimiracemosides O
Molecular Formula C39H58O12
Molecular Weight 718.88
CAS Registry Number 473554-79-9
SMILES CC(=O)OC1COC(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga racemosa Roots 0.000063% J Nat Prod 65, 1391-1397 (2002) 10.1021/np0200818
Properties
HBA 12 HBD 3
HeavyAtoms 51 AlogP 3.60
TPSA 162.74 RotatableBonds 4
FractionCSP3 0.95 Rings 9
AromaticRings 0 AliphaticRings 9