Physicochemical Properties
| Molecular Formula | C48H82O20 |
| Molecular Weight | 979.152698040009 |
| Exact Mass | 978.539 |
| CAS # | 156791-82-1 |
| PubChem CID | 102004530 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 1075.9±65.0 °C at 760 mmHg |
| Flash Point | 604.5±34.3 °C |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.626 |
| LogP | 0.07 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 68 |
| Complexity | 1700 |
| Defined Atom Stereocenter Count | 27 |
| SMILES | C[C@@H](CO)[C@@H]1CC[C@@]2(CC[C@@]3([C@@H]([C@H]2O)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)CO1 |
| InChi Key | JUKFJOYCFLIWIA-MDQYKXRHSA-N |
| InChi Code | InChI=1S/C48H82O20/c1-22(16-49)24-8-13-48(21-62-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,28(44)9-12-47(29,46)5)20-63-41-37(59)34(56)31(53)25(17-50)64-41)67-43-39(36(58)33(55)27(19-52)66-43)68-42-38(60)35(57)32(54)26(18-51)65-42/h22-43,49-61H,6-21H2,1-5H3/t22-,23+,24-,25+,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+/m0/s1 |
| Chemical Name | (2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4aR,4bR,6aS,7R,8S,10aR,10bR,12aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2'-[(2S)-1-hydroxypropan-2-yl]-1,4a,10a,10b-tetramethylspiro[3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysene-8,5'-oxane]-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| 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 |
| 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 Vivo | Mesoside A's average peak concentration and appearance time in rats treated with oral total saponins from Intolerantia were 162.08±139.87 ng/mL and 0.67 h, respectively. Hosenkoside A has a terminal half-life of 5.39±2.06h[1]. |
| Animal Protocol |
Male Wistar rats (220 ± 20 g) were fasted for 12 hours prior to the experiment. The rats were orally administered a suspension of total saponins of Semen Impatients, which was prepared by dissolving the extract in 0.5% methyl cellulose solution. The oral dose of the total saponins was 300 mg/kg body weight. The dose of Hosenkoside A contained within this total saponin extract was 12.4 mg/kg. Blood samples (approximately 0.20 mL) were collected from the suborbital vein into heparinized tubes at the following time points: before administration (0 hour), and 0.08, 0.25, 0.5, 0.75, 1, 1.5, 2, 4, 6, 8, 12, and 24 hours after dosing. The blood samples were immediately centrifuged, and the harvested plasma was stored at -80°C until analysis.[1] |
| ADME/Pharmacokinetics |
Following a single oral administration of total saponins of Semen Impatients (equivalent to 12.4 mg/kg of Hosenkoside A) to rats, the mean maximum plasma concentration (Cmax) of Hosenkoside A was 130.99 ± 23.62 ng/mL. The time to reach Cmax (Tmax) was 0.67 ± 0.13 hours. The elimination half-life (t1/2) was 5.39 ± 2.06 hours. The mean residence time (MRT) was 6.22 ± 1.91 hours. The area under the plasma concentration-time curve from time zero to the last measurable time point (AUC0-t) was 660.16 ± 262.52 ng·h/mL. The area under the plasma concentration-time curve from time zero to infinity (AUC0-∞) was 728.30 ± 258.35 ng·h/mL. The apparent clearance (CL/F) was 19.44 ± 8.69 L/h/kg. The apparent volume of distribution (Vd/F) was 162.08 ± 139.87 L/kg. The plasma concentration-time profile of Hosenkoside A showed a double-peak phenomenon, which may be attributed to enterohepatic recirculation or drug-drug interactions within the herbal extract.[1] |
| References |
[1]. An LC-MS/MS method for simultaneous determination of hosenkoside A and hosenkoside K from Semen Impatientis in rat plasma and its application to a pharmacokinetic study. Biomed Chromatogr. 2017 Mar;31(3). |
| Additional Infomation |
Hosenkoside A has been reported in Impatiens balsamina with data available. Hosenkoside A is a baccharane glycoside saponin and is one of the main active components of Semen Impatients (seeds of Impatiens balsamina L.).[1] In the total saponin extract of Semen Impatients used in this study, the content of Hosenkoside A was 4.13%.[1] A sensitive and validated LC-MS/MS method was developed for the determination of Hosenkoside A in rat plasma, with a lower limit of quantification (LLOQ) of 5 ng/mL.[1] The method validation included specificity, linearity, precision, accuracy, extraction recovery, matrix effect, and stability assessments, all of which met acceptable criteria.[1] |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~51.06 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.55 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 (2.55 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 (2.55 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 | 1.0213 mL | 5.1065 mL | 10.2129 mL | |
| 5 mM | 0.2043 mL | 1.0213 mL | 2.0426 mL | |
| 10 mM | 0.1021 mL | 0.5106 mL | 1.0213 mL |