Astragalin 2''-O-Gallate
TL;DR: Astragalin 2''-O-Gallate (CAS 76343-90-3) is a chemical compound with molecular formula C28H24O15 and molecular weight 600.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Astragalin 2''-O-Gallate, Astragalin 2 -gallate, Kaempferol 3-(2''-galloylglucoside), Kaempferol 3-(2-O-galloylglucoside), Kaempferol 3-O-(2-O-galloylglucoside)
| Molecular Formula | C28H24O15 |
|---|---|
| Molecular Weight | 600.11 g/mol |
| LogP | 0.737 |
| Topological Polar Surface Area | 257.04 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 600.1115 |
| Heavy Atoms | 43 |
| Complexity | 1723.3358 |
Chemical Identifiers
| CAS Number | 76343-90-3 |
|---|---|
| SMILES | C1=CC(=CC=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)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
Product Overview
Astragalin 2''-O-Gallate (CAS 76343-90-3), with molecular formula C28H24O15 and molecular weight 600.11 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Astragalin 2''-O-Gallate
Property Insights of Astragalin 2''-O-Gallate
The XLogP value of 0.737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Astragalin 2''-O-Gallate. The TPSA of 257.04 Ų indicates high polarity, suggesting Astragalin 2''-O-Gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Astragalin 2''-O-Gallate has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Astragalin 2''-O-Gallate?
The CAS number of Astragalin 2''-O-Gallate is 76343-90-3.
What is the molecular formula of Astragalin 2''-O-Gallate?
The molecular formula of Astragalin 2''-O-Gallate is C28H24O15.
What is the molecular weight of Astragalin 2''-O-Gallate?
The molecular weight of Astragalin 2''-O-Gallate is 600.11 g/mol.
Where can I buy Astragalin 2''-O-Gallate?
You can request a quote for Astragalin 2''-O-Gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astragalin 2''-O-Gallate?
Yes, KEHONG BIO provides custom synthesis services for Astragalin 2''-O-Gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.