TPCN03866

Name Uralsaponin M;22??-acetoxyglycyrrhizin;22??-acetoxy-glycyrrhizin;22??-acetoxylglycyrrhizin
Molecular Formula C44H64O18
Molecular Weight 880.98
CAS Registry Number 938042-17-2
SMILES CC(=O)OC1CC(C)(C(=O)O)CC2C3=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex hainanensis Leaves 0.000435% Magn Reson Chem 45, 179-181 (2007). 10.1002/mrc.1926
Aquifoliaceae Ilex hainanensis Leaves 0.000090% Magn Reson Chem 45, 179-181 (2007). 10.1002/mrc.1926
Fabaceae Glycyrrhiza uralensis Roots 0.000049% Fitoterapia 133: 186-192. 10.1016/j.fitote.2019.01.014
Fabaceae Glycyrrhiza uralensis Roots 0.000043% J Nat Prod. 2014 Jul 25;77(7):1632-43. 10.1021/np500253m.
Properties
HBA 18 HBD 8
HeavyAtoms 62 AlogP 1.79
TPSA 293.34 RotatableBonds 8
FractionCSP3 0.84 Rings 7
AromaticRings 0 AliphaticRings 7