quercetin 3-O-sophoroside
TL;DR: quercetin 3-O-sophoroside (CAS 27459-71-8) is a chemical compound with molecular formula C27H30O17 and molecular weight 626.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: Baimaside, Quercetin 3-O-sophoroside, Quercetin-3-O-sophoroside, QUOSP, quercetin diglucoside
| Molecular Formula | C27H30O17 |
|---|---|
| Molecular Weight | 626.15 g/mol |
| LogP | -2.7147 |
| Topological Polar Surface Area | 289.66 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 626.1483 |
| Heavy Atoms | 44 |
| Complexity | 1555.607 |
Chemical Identifiers
| CAS Number | 27459-71-8 |
|---|---|
| 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)O)O |
Product Overview
quercetin 3-O-sophoroside (CAS 27459-71-8), with molecular formula C27H30O17 and molecular weight 626.15 g/mol. IUPAC: 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-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one.
Chemical Property Profile of quercetin 3-O-sophoroside
Property Insights of quercetin 3-O-sophoroside
The XLogP value of -2.7147 indicates that quercetin 3-O-sophoroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 289.66 Ų indicates high polarity, suggesting quercetin 3-O-sophoroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, quercetin 3-O-sophoroside has 11 hydrogen bond donor(s) and 17 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-O-sophoroside?
The CAS number of quercetin 3-O-sophoroside is 27459-71-8.
What is the molecular formula of quercetin 3-O-sophoroside?
The molecular formula of quercetin 3-O-sophoroside is C27H30O17.
What is the molecular weight of quercetin 3-O-sophoroside?
The molecular weight of quercetin 3-O-sophoroside is 626.15 g/mol.
Where can I buy quercetin 3-O-sophoroside?
You can request a quote for quercetin 3-O-sophoroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for quercetin 3-O-sophoroside?
Yes, KEHONG BIO provides custom synthesis services for quercetin 3-O-sophoroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.