Physicochemical Properties
| Molecular Formula | C29H34O16 |
| Molecular Weight | 638.57 |
| Exact Mass | 638.184 |
| CAS # | 20188-85-6 |
| PubChem CID | 10100634 |
| Appearance | White to light yellow solid powder |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 947.6±65.0 °C at 760 mmHg |
| Flash Point | 308.6±27.8 °C |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.697 |
| LogP | 2.17 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 45 |
| Complexity | 1060 |
| Defined Atom Stereocenter Count | 10 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O |
| InChi Key | VVSFMIXQNYRGMG-BDAFLREQSA-N |
| InChi Code | InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1 |
| Chemical Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-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]. Isolation, Identification and Antimicrobial Activity of Ombuoside From Stevia Triflora. Ann Pharm Fr. 1997;55(6):262-8. [2]. Ombuoside From Gynostemma Pentaphyllum Protects PC12 Cells From L-DOPA-Induced Neurotoxicity.Planta Med. |
| Additional Infomation | Ombuoside has been reported in Kaempferia parviflora, Gynostemma pentaphyllum, and Bryobium eriaeoides with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : 50 mg/mL (78.30 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (1.96 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 12.5 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 | 1.5660 mL | 7.8300 mL | 15.6600 mL | |
| 5 mM | 0.3132 mL | 1.5660 mL | 3.1320 mL | |
| 10 mM | 0.1566 mL | 0.7830 mL | 1.5660 mL |