Physicochemical Properties
| Molecular Formula | C48H78O20 |
| Molecular Weight | 975.12092 |
| Exact Mass | 974.508 |
| CAS # | 125265-68-1 |
| PubChem CID | 91618002 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 1040.5±65.0 °C at 760 mmHg |
| Flash Point | 294.8±27.8 °C |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.639 |
| LogP | 1.93 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 68 |
| Complexity | 1870 |
| Defined Atom Stereocenter Count | 26 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(C[C@H]([C@@H]8[C@@]7(C[C@H]([C@@H]([C@@]8(C)CO)O)O)C)O)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O |
| InChi Key | NNWMHSNRRWMMBI-PJISEHJASA-N |
| InChi Code | InChI=1S/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3/t20-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36+,37+,38-,39+,40-,41-,44+,45-,46+,47+,48-/m0/s1 |
| Chemical Name | [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| 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
| ln Vitro |
Asiaticoside B exhibited notable cytotoxicity against HepG2 and MCF-7 cancer cell lines with IC₅₀ values of 9.74 μM and 8.32 μM, respectively, as determined by the MTT assay. [1] |
| Cell Assay |
The cytotoxicity of Asiaticoside B was evaluated using the MTT assay. Briefly, cells were seeded in 96-well plates and treated with various concentrations of the compound. After incubation, MTT reagent was added and the formazan crystals formed were dissolved. Absorbance was measured to determine cell viability and calculate IC₅₀ values. [1] |
| References |
[1]. Cytotoxic cycloartane triterpene saponins from Actaea asiatica. J Nat Prod. 2006 Oct;69(10):1500-2. |
| Additional Infomation |
Asiaticoside B is a triterpenoid saponin. Asiaticoside B has been reported in Centella asiatica and Actaea asiatica with data available. Asiaticoside B is a new 9,19-cycloartane triterpene glycoside isolated from the roots/rhizomes of Actaea asiatica Hara. It was identified as 16β:23-epoxy-12β-acetoxy-22,23-didehydro-24-one-25-hydro-9,19-cyclolanostane-7-ene-3-O-β-D-xylopyranoside. [1] |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~102.55 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.56 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 25.0 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: ≥ 2.5 mg/mL (2.56 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 25.0 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (2.56 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.0255 mL | 5.1276 mL | 10.2551 mL | |
| 5 mM | 0.2051 mL | 1.0255 mL | 2.0510 mL | |
| 10 mM | 0.1026 mL | 0.5128 mL | 1.0255 mL |