q-Glu-rha-gal
TL;DR: q-Glu-rha-gal (CAS 134953-93-8) is a chemical compound with molecular formula C33H40O21 and molecular weight 772.21 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,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: q-Glu-rha-gal, Quercetin-3-Glu-Rha-Gal, Quercetin 3-glucosyl(1-3)rhamnosyl(1-6)galactoside, Hyperin 6''-[glucosyl-(1->3)-rhamnoside], Hyperin 6/'/'-[glucosyl-(1->3)-rhamnoside]
| Molecular Formula | C33H40O21 |
|---|---|
| Molecular Weight | 772.21 g/mol |
| LogP | -3.8629 |
| Topological Polar Surface Area | 348.58 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 772.20624 |
| Heavy Atoms | 54 |
| Complexity | 1850.7274 |
Chemical Identifiers
| CAS Number | 134953-93-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O |
Product Overview
q-Glu-rha-gal (CAS 134953-93-8), with molecular formula C33H40O21 and molecular weight 772.21 g/mol. IUPAC: 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-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-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one.
Chemical Property Profile of q-Glu-rha-gal
Property Insights of q-Glu-rha-gal
The XLogP value of -3.8629 indicates that q-Glu-rha-gal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.58 Ų indicates high polarity, suggesting q-Glu-rha-gal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, q-Glu-rha-gal has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of q-Glu-rha-gal?
The CAS number of q-Glu-rha-gal is 134953-93-8.
What is the molecular formula of q-Glu-rha-gal?
The molecular formula of q-Glu-rha-gal is C33H40O21.
What is the molecular weight of q-Glu-rha-gal?
The molecular weight of q-Glu-rha-gal is 772.21 g/mol.
Where can I buy q-Glu-rha-gal?
You can request a quote for q-Glu-rha-gal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for q-Glu-rha-gal?
Yes, KEHONG BIO provides custom synthesis services for q-Glu-rha-gal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.