Lyoniresinol-3-O-glucopyranoside
TL;DR: Lyoniresinol-3-O-glucopyranoside (CAS 87585-32-8) is a chemical compound with molecular formula C28H38O13 and molecular weight 582.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
Also Known As: Lyoniresinol-3-O-glucopyranoside, beta-D-Glucopyranoside, ((1S,2R,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2-naphthalenyl)methyl
| Molecular Formula | C28H38O13 |
|---|---|
| Molecular Weight | 582.23 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 582.23126 |
| Heavy Atoms | 41 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 87585-32-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2C([C@@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)[C@@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC |
| InChIKey | BHUDUKVACMWCFA-RFIMIYBGSA-N |
Product Overview
Lyoniresinol-3-O-glucopyranoside (CAS 87585-32-8), with molecular formula C28H38O13 and molecular weight 582.23 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.
Chemical Property Profile of Lyoniresinol-3-O-glucopyranoside
Property Insights of Lyoniresinol-3-O-glucopyranoside
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lyoniresinol-3-O-glucopyranoside. The TPSA of 197.0 Ų indicates high polarity, suggesting Lyoniresinol-3-O-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lyoniresinol-3-O-glucopyranoside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lyoniresinol-3-O-glucopyranoside?
The CAS number of Lyoniresinol-3-O-glucopyranoside is 87585-32-8.
What is the molecular formula of Lyoniresinol-3-O-glucopyranoside?
The molecular formula of Lyoniresinol-3-O-glucopyranoside is C28H38O13.
What is the molecular weight of Lyoniresinol-3-O-glucopyranoside?
The molecular weight of Lyoniresinol-3-O-glucopyranoside is 582.23 g/mol.
Where can I buy Lyoniresinol-3-O-glucopyranoside?
You can request a quote for Lyoniresinol-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 Lyoniresinol-3-O-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Lyoniresinol-3-O-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.