Podorhizol beta-D-glucoside
TL;DR: Podorhizol beta-D-glucoside (CAS 17187-73-4) is a chemical compound with molecular formula C28H34O13 and molecular weight 578.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Also Known As: Podorhizol beta-D-glucoside, podorhizol, A-D-glucoside, Podorhizol beta-D-glucopyranoside, 5-(4-Hydroxy-benzyl)-uracil
| Molecular Formula | C28H34O13 |
|---|---|
| Molecular Weight | 578.20 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.19995 |
| Heavy Atoms | 41 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 17187-73-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]([C@@H]2[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | IETDTZKBVWFSKR-XYEVPOBGSA-N |
Product Overview
Podorhizol beta-D-glucoside (CAS 17187-73-4), with molecular formula C28H34O13 and molecular weight 578.20 g/mol. IUPAC: (3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of Podorhizol beta-D-glucoside
Property Insights of Podorhizol beta-D-glucoside
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Podorhizol beta-D-glucoside. The TPSA of 172.0 Ų indicates high polarity, suggesting Podorhizol beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Podorhizol beta-D-glucoside has 4 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 Podorhizol beta-D-glucoside?
The CAS number of Podorhizol beta-D-glucoside is 17187-73-4.
What is the molecular formula of Podorhizol beta-D-glucoside?
The molecular formula of Podorhizol beta-D-glucoside is C28H34O13.
What is the molecular weight of Podorhizol beta-D-glucoside?
The molecular weight of Podorhizol beta-D-glucoside is 578.20 g/mol.
Where can I buy Podorhizol beta-D-glucoside?
You can request a quote for Podorhizol beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Podorhizol beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Podorhizol beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.