Medicagenic acid 3-O-triglucoside
TL;DR: Medicagenic acid 3-O-triglucoside (CAS 37838-43-0) is a chemical compound with molecular formula C48H76O21 and molecular weight 988.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Also Known As: Medicagenic acid 3-O-triglucoside, J2.767.529H, (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid, (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid, (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
| Molecular Formula | C48H76O21 |
|---|---|
| Molecular Weight | 988.49 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 353.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 988.4879 |
| Heavy Atoms | 69 |
| Complexity | 1940.0 |
Chemical Identifiers
| CAS Number | 37838-43-0 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O)C |
| InChIKey | HIZNXZVTIKIPSM-NGVQALMWSA-N |
Product Overview
Medicagenic acid 3-O-triglucoside (CAS 37838-43-0), with molecular formula C48H76O21 and molecular weight 988.49 g/mol. IUPAC: (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid.
Chemical Property Profile of Medicagenic acid 3-O-triglucoside
Property Insights of Medicagenic acid 3-O-triglucoside
The XLogP value of -0.1 indicates that Medicagenic acid 3-O-triglucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 353.0 Ų indicates high polarity, suggesting Medicagenic acid 3-O-triglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Medicagenic acid 3-O-triglucoside has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Medicagenic acid 3-O-triglucoside?
The CAS number of Medicagenic acid 3-O-triglucoside is 37838-43-0.
What is the molecular formula of Medicagenic acid 3-O-triglucoside?
The molecular formula of Medicagenic acid 3-O-triglucoside is C48H76O21.
What is the molecular weight of Medicagenic acid 3-O-triglucoside?
The molecular weight of Medicagenic acid 3-O-triglucoside is 988.49 g/mol.
Where can I buy Medicagenic acid 3-O-triglucoside?
You can request a quote for Medicagenic acid 3-O-triglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Medicagenic acid 3-O-triglucoside?
Yes, KEHONG BIO provides custom synthesis services for Medicagenic acid 3-O-triglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.