Catharticin
TL;DR: Catharticin (CAS 39723-40-5) is a chemical compound with molecular formula C34H42O19 and molecular weight 754.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Also Known As: Alaternin, Catharticin, 2-Hydroxyemodin, Alaternin (glycoside), Rhamnocitrin 3-O-rhamninoside
| Molecular Formula | C34H42O19 |
|---|---|
| Molecular Weight | 754.23 g/mol |
| LogP | -2.2379 |
| Topological Polar Surface Area | 297.12 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 754.23206 |
| Heavy Atoms | 53 |
| Complexity | 1784.2192 |
Chemical Identifiers
| CAS Number | 39723-40-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)O)O)O)O)C)O)O)O)O |
Product Overview
Catharticin (CAS 39723-40-5), with molecular formula C34H42O19 and molecular weight 754.23 g/mol. IUPAC: 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.
Chemical Property Profile of Catharticin
Property Insights of Catharticin
The XLogP value of -2.2379 indicates that Catharticin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.12 Ų indicates high polarity, suggesting Catharticin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Catharticin has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Catharticin?
The CAS number of Catharticin is 39723-40-5.
What is the molecular formula of Catharticin?
The molecular formula of Catharticin is C34H42O19.
What is the molecular weight of Catharticin?
The molecular weight of Catharticin is 754.23 g/mol.
Where can I buy Catharticin?
You can request a quote for Catharticin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catharticin?
Yes, KEHONG BIO provides custom synthesis services for Catharticin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.