Emodin 1-O-beta-D-glucoside
TL;DR: Emodin 1-O-beta-D-glucoside (CAS 29013-18-1) is a chemical compound with molecular formula C21H20O10 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Also Known As: Emodin-1-O-glucoside, Emodin 1-O-beta-D-glucoside, Emodin 8-glucoside, Anthraglycoside B, EMODIN 1-GLUCOSIDE
| Molecular Formula | C21H20O10 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | -0.63968 |
| Topological Polar Surface Area | 173.98 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.10565 |
| Heavy Atoms | 31 |
| Complexity | 1076.3156 |
Chemical Identifiers
| CAS Number | 29013-18-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O |
Product Overview
Emodin 1-O-beta-D-glucoside (CAS 29013-18-1), with molecular formula C21H20O10 and molecular weight 432.11 g/mol. IUPAC: 1,3-dihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione.
Chemical Property Profile of Emodin 1-O-beta-D-glucoside
Property Insights of Emodin 1-O-beta-D-glucoside
The XLogP value of -0.63968 indicates that Emodin 1-O-beta-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.98 Ų indicates high polarity, suggesting Emodin 1-O-beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emodin 1-O-beta-D-glucoside has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emodin 1-O-beta-D-glucoside?
The CAS number of Emodin 1-O-beta-D-glucoside is 29013-18-1.
What is the molecular formula of Emodin 1-O-beta-D-glucoside?
The molecular formula of Emodin 1-O-beta-D-glucoside is C21H20O10.
What is the molecular weight of Emodin 1-O-beta-D-glucoside?
The molecular weight of Emodin 1-O-beta-D-glucoside is 432.11 g/mol.
Where can I buy Emodin 1-O-beta-D-glucoside?
You can request a quote for Emodin 1-O-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 Emodin 1-O-beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Emodin 1-O-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.