Chrysophanol triglucoside
TL;DR: Chrysophanol triglucoside (CAS 120181-07-9) is a chemical compound with molecular formula C33H40O19 and molecular weight 740.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione
Also Known As: Chrysophanol triglucoside, HY-N7599, 1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione, 1-[(O-beta-D-Glucopyranosyl-(1-->3)-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione, 9,10-Anthracenedione, 1-[(O-beta-D-glucopyranosyl-(1-->3)-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-
| Molecular Formula | C33H40O19 |
|---|---|
| Molecular Weight | 740.22 g/mol |
| LogP | -4.69688 |
| Topological Polar Surface Area | 312.05 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 740.2164 |
| Heavy Atoms | 52 |
| Complexity | 1634.3749 |
Chemical Identifiers
| CAS Number | 120181-07-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O |
Product Overview
Chrysophanol triglucoside (CAS 120181-07-9), with molecular formula C33H40O19 and molecular weight 740.22 g/mol. IUPAC: 1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione.
Chemical Property Profile of Chrysophanol triglucoside
Property Insights of Chrysophanol triglucoside
The XLogP value of -4.69688 indicates that Chrysophanol triglucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.05 Ų indicates high polarity, suggesting Chrysophanol triglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chrysophanol triglucoside has 11 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 Chrysophanol triglucoside?
The CAS number of Chrysophanol triglucoside is 120181-07-9.
What is the molecular formula of Chrysophanol triglucoside?
The molecular formula of Chrysophanol triglucoside is C33H40O19.
What is the molecular weight of Chrysophanol triglucoside?
The molecular weight of Chrysophanol triglucoside is 740.22 g/mol.
Where can I buy Chrysophanol triglucoside?
You can request a quote for Chrysophanol triglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysophanol triglucoside?
Yes, KEHONG BIO provides custom synthesis services for Chrysophanol triglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.