![β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate](/upload/1124/V59223.png)
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| Targets |
The molecular targets of this saponin are not fully characterized. As a saponin, it may interact with cell membranes, cholesterol, and various receptors. The presence of a glucuronic acid moiety at carbon C-3 suggests it may have specific interactions with glucuronide transporters or receptors. The compound is isolated from S. simplex and may have biological activities characteristic of saponins, such as hemolytic, immunomodulatory, and anti-inflammatory effects. Further research is needed to identify specific targets.
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| ln Vitro |
β-D-glucopyranosyl-[β-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]
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| ln Vivo |
Specific in vivo activity data for this saponin are not available in the consulted sources. As a saponin isolated from S. simplex, it may have traditional medicinal uses or pharmacological activities. However, no specific in vivo studies have been reported. Further research is needed to evaluate its efficacy and safety in animal models.
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| Enzyme Assay |
Typical in vitro assays for saponins include hemolytic activity assays using red blood cells. The compound is incubated with a suspension of red blood cells at various concentrations, and hemoglobin release is measured spectrophotometrically. For immunomodulatory activity, splenocyte proliferation assays are performed. For anti-inflammatory activity, macrophages are treated with the compound and LPS, and NO production is measured by Griess assay. These protocols are standard for evaluating saponin activities.
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| Cell Assay |
Cell-based assays for this saponin typically involve treating immune cells (macrophages, lymphocytes) or cancer cell lines with the compound at concentrations ranging from 1-100 µM for 24-48 hours. Cell viability, inflammatory markers, and immunomodulatory effects are assessed using standard methods. However, specific assay details for this compound are not available in the consulted sources.
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| Animal Protocol |
In vivo animal experiments for this saponin are not detailed in the available literature. For saponin research, typical in vivo studies involve administering the compound to rodents orally or intraperitoneally at doses ranging from 5-50 mg/kg. Effects on immune function, inflammation, and tumor growth are assessed. Toxicological parameters are also evaluated. However, such studies have not been reported for this specific compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for this saponin are limited. As a large, polar molecule with a molecular weight of 941.11 g/mol, it would be expected to have poor oral bioavailability. Saponins are typically poorly absorbed and may be metabolized by gut microbiota. The compound's multiple sugar moieties suggest it may be hydrolyzed to release the aglycone. Further studies are needed to characterize its ADME properties.
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| Toxicity/Toxicokinetics |
Toxicological data for this saponin are limited. As a saponin, it may have hemolytic activity and could cause gastrointestinal irritation at high doses. However, comprehensive toxicological studies have not been reported. Standard laboratory safety precautions should be followed when handling the compound. The compound is not approved for any therapeutic indication.
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| References | |
| Additional Infomation |
Cyaonoside B has been reported to have been found in Dumasia truncata, Swartzia simplex, and Bobgunnia madagascariensis, and relevant data are available for reference.
β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate is a saponin isolated from S. simplex. It is also known as cyasterone B or 川牛膝皂苷B. The compound has a glucuronic acid attached to carbon C-3. It is a research compound for studying saponin properties and biological activities. It is not approved for any clinical indication. |
| Molecular Formula |
C48H76O18
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| Molecular Weight |
941.11
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| Exact Mass |
940.503
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| CAS # |
51161-58-1
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| PubChem CID |
21635581
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| Appearance |
White to off-white solid
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
10
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| Hydrogen Bond Acceptor Count |
18
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
66
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| Complexity |
1860
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| Defined Atom Stereocenter Count |
23
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| SMILES |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)C(=O)O)O)O)O)O
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| InChi Key |
LBHYRBPEXITYTN-WYPLEBMUSA-N
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| InChi Code |
InChI=1S/C48H76O18/c1-21-28(50)30(52)32(54)39(61-21)64-36-34(56)37(38(58)59)65-41(35(36)57)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-33(55)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
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| Chemical Name |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (106.26 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.0626 mL | 5.3129 mL | 10.6258 mL | |
| 5 mM | 0.2125 mL | 1.0626 mL | 2.1252 mL | |
| 10 mM | 0.1063 mL | 0.5313 mL | 1.0626 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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