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 |