TPCN05558

Name 23-epi-26-deoxycimicifugoside
Molecular Formula C37H58O11
Molecular Weight 678.86
CAS Registry Number 1374149-12-8
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga dahurica Aerial parts 0.000151% J Asian Nat Prod Res. 2019. 1-6. 10.1080/10286020.2019.1638370
Properties
HBA 11 HBD 5
HeavyAtoms 48 AlogP 2.66
TPSA 164.37 RotatableBonds 3
FractionCSP3 0.97 Rings 8
AromaticRings 0 AliphaticRings 8