Quercetin 3-sambubioside
TL;DR: Quercetin 3-sambubioside (CAS 83144-69-8) is a chemical compound with molecular formula C26H28O16 and molecular weight 596.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: Quercetin 3-sambubioside, Compound NP-024186, J1.248.209D, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy]-, quercetin 3-beta-xylopyranosyl-beta-D-galactopyranoside
| Molecular Formula | C26H28O16 |
|---|---|
| Molecular Weight | 596.14 g/mol |
| LogP | -2.0756 |
| Topological Polar Surface Area | 269.43 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.13776 |
| Heavy Atoms | 42 |
| Complexity | 1505.883 |
Chemical Identifiers
| CAS Number | 83144-69-8 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O |
Product Overview
Quercetin 3-sambubioside (CAS 83144-69-8), with molecular formula C26H28O16 and molecular weight 596.14 g/mol. IUPAC: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one.
Chemical Property Profile of Quercetin 3-sambubioside
Property Insights of Quercetin 3-sambubioside
The XLogP value of -2.0756 indicates that Quercetin 3-sambubioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 269.43 Ų indicates high polarity, suggesting Quercetin 3-sambubioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3-sambubioside has 10 hydrogen bond donor(s) and 16 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-sambubioside?
The CAS number of Quercetin 3-sambubioside is 83144-69-8.
What is the molecular formula of Quercetin 3-sambubioside?
The molecular formula of Quercetin 3-sambubioside is C26H28O16.
What is the molecular weight of Quercetin 3-sambubioside?
The molecular weight of Quercetin 3-sambubioside is 596.14 g/mol.
Where can I buy Quercetin 3-sambubioside?
You can request a quote for Quercetin 3-sambubioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin 3-sambubioside?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3-sambubioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.