TPCN05767

Name Cimicifoetisides A
Molecular Formula C37H58O10
Molecular Weight 662.86
CAS Registry Number 873837-27-5
SMILES CC(=O)OC1C(OC2CCC34CC35CCC3(C)C6C(C)CC7OC6(OC7C(C)(C)O)C(O)C3(C)C5CCC4C2(C)C)OCC(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000679% Beilstein J Org Chem. 2007 Jan 31;3:3. 10.1186/1860-5397-3-3.
Properties
HBA 10 HBD 4
HeavyAtoms 47 AlogP 3.69
TPSA 144.14 RotatableBonds 4
FractionCSP3 0.97 Rings 8
AromaticRings 0 AliphaticRings 8