Medicagenic acid-3-O-glucopyranoside
TL;DR: Medicagenic acid-3-O-glucopyranoside (CAS 5448-53-3) is a chemical compound with molecular formula C36H56O11 and molecular weight 664.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Also Known As: Compound G2, Medicagenic acid-3-O-glucopyranoside, Medicagenic acid 3-O-glucoside, Medicagenic acid 3-O-beta-D-glucopyranoside, KST-1A5816
| Molecular Formula | C36H56O11 |
|---|---|
| Molecular Weight | 664.38 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 664.38226 |
| Heavy Atoms | 47 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 5448-53-3 |
|---|---|
| SMILES | C[C@@]12CCC3[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](C3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C |
| InChIKey | XCHARIIIZLLEBL-GHKSOYFMSA-N |
Product Overview
Medicagenic acid-3-O-glucopyranoside (CAS 5448-53-3), with molecular formula C36H56O11 and molecular weight 664.38 g/mol. IUPAC: (2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-glucopyranoside
Property Insights of Medicagenic acid-3-O-glucopyranoside
The XLogP value of 3.6 indicates that Medicagenic acid-3-O-glucopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting Medicagenic acid-3-O-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Medicagenic acid-3-O-glucopyranoside has 7 hydrogen bond donor(s) and 11 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-glucopyranoside?
The CAS number of Medicagenic acid-3-O-glucopyranoside is 5448-53-3.
What is the molecular formula of Medicagenic acid-3-O-glucopyranoside?
The molecular formula of Medicagenic acid-3-O-glucopyranoside is C36H56O11.
What is the molecular weight of Medicagenic acid-3-O-glucopyranoside?
The molecular weight of Medicagenic acid-3-O-glucopyranoside is 664.38 g/mol.
Where can I buy Medicagenic acid-3-O-glucopyranoside?
You can request a quote for Medicagenic acid-3-O-glucopyranoside 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-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Medicagenic acid-3-O-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.