Quercetin 3-sophorotrioside
TL;DR: Quercetin 3-sophorotrioside (CAS 38681-85-5) is a chemical compound with molecular formula C33H40O22 and molecular weight 788.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: Quercetin 3-sophorotrioside, quercetin triglucoside, Quercetin 3-O-sophorotrioside, Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside, 3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
| Molecular Formula | C33H40O22 |
|---|---|
| Molecular Weight | 788.20 g/mol |
| LogP | -4.8905 |
| Topological Polar Surface Area | 368.81 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 788.2011 |
| Heavy Atoms | 55 |
| Complexity | 1869.0626 |
Chemical Identifiers
| CAS Number | 38681-85-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O |
Product Overview
Quercetin 3-sophorotrioside (CAS 38681-85-5), with molecular formula C33H40O22 and molecular weight 788.20 g/mol. IUPAC: 3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one.
Chemical Property Profile of Quercetin 3-sophorotrioside
Property Insights of Quercetin 3-sophorotrioside
The XLogP value of -4.8905 indicates that Quercetin 3-sophorotrioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 368.81 Ų indicates high polarity, suggesting Quercetin 3-sophorotrioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3-sophorotrioside has 14 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quercetin 3-sophorotrioside?
The CAS number of Quercetin 3-sophorotrioside is 38681-85-5.
What is the molecular formula of Quercetin 3-sophorotrioside?
The molecular formula of Quercetin 3-sophorotrioside is C33H40O22.
What is the molecular weight of Quercetin 3-sophorotrioside?
The molecular weight of Quercetin 3-sophorotrioside is 788.20 g/mol.
Where can I buy Quercetin 3-sophorotrioside?
You can request a quote for Quercetin 3-sophorotrioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin 3-sophorotrioside?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3-sophorotrioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.