Physicochemical Properties
| Molecular Formula | C22H24O11 |
| Molecular Weight | 464.42 |
| Exact Mass | 464.131 |
| CAS # | 31712-49-9 |
| PubChem CID | 147394 |
| Appearance | White to off-white solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 807.1±65.0 °C at 760 mmHg |
| Flash Point | 282.0±27.8 °C |
| Vapour Pressure | 0.0±3.0 mmHg at 25°C |
| Index of Refraction | 1.672 |
| LogP | 0.52 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 33 |
| Complexity | 677 |
| Defined Atom Stereocenter Count | 6 |
| SMILES | COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChi Key | ADSYMQORONDIDD-ZJHVPRRPSA-N |
| InChi Code | InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1 |
| Chemical Name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Enzymatic Bioconversion of Citrus Hesperidin by Aspergillus Sojae Naringinase: Enhanced Solubility of hesperetin-7-O-glucoside With in Vitro Inhibition of Human Intestinal Maltase, HMG-CoA Reductase, and Growth of Helicobacter Pylori. Food Chem. 2012 Dec 15;135(4):2253-9. [2]. Gastrointestinal Absorption and Metabolism of hesperetin-7-O-rutinoside and hesperetin-7-O-glucoside in Healthy Humans. Mol Nutr Food Res. 2015 Sep;59(9):1651-62. |
| Additional Infomation |
Hesperetin 7-O-beta-D-glucoside is a flavanone 7-O-beta-D-glucoside having hesperetin as the flavanone component. It has a role as a metabolite. It is a flavanone 7-O-beta-D-glucoside, a monomethoxyflavanone, a member of 3'-hydroxyflavanones, a dihydroxyflavanone, a monosaccharide derivative and a member of 4'-methoxyflavanones. It is functionally related to a hesperetin. Hesperetin 7-O-glucoside has been reported in Cunila with data available. See also: Hesperetin 7-glucoside (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | DMSO : 25 mg/mL (53.83 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.48 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.48 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1532 mL | 10.7661 mL | 21.5322 mL | |
| 5 mM | 0.4306 mL | 2.1532 mL | 4.3064 mL | |
| 10 mM | 0.2153 mL | 1.0766 mL | 2.1532 mL |