Cassiglucin
TL;DR: Cassiglucin (CAS 73815-19-7) is a chemical compound with molecular formula C28H32O17 and molecular weight 640.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Also Known As: Cassiglucin, J2.429.763B, Isorhamnetin-3-O-beta-D-galactopyranosyl-O-beta-D-glucoside, 4H-1-Benzopyran-4-one, 3-((4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
| Molecular Formula | C28H32O17 |
|---|---|
| Molecular Weight | 640.16 g/mol |
| LogP | -2.4117 |
| Topological Polar Surface Area | 278.66 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.16394 |
| Heavy Atoms | 45 |
| Complexity | 1570.8997 |
Chemical Identifiers
| CAS Number | 73815-19-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=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[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O |
Product Overview
Cassiglucin (CAS 73815-19-7), with molecular formula C28H32O17 and molecular weight 640.16 g/mol. IUPAC: 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
Chemical Property Profile of Cassiglucin
Property Insights of Cassiglucin
The XLogP value of -2.4117 indicates that Cassiglucin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.66 Ų indicates high polarity, suggesting Cassiglucin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cassiglucin has 10 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 Cassiglucin?
The CAS number of Cassiglucin is 73815-19-7.
What is the molecular formula of Cassiglucin?
The molecular formula of Cassiglucin is C28H32O17.
What is the molecular weight of Cassiglucin?
The molecular weight of Cassiglucin is 640.16 g/mol.
Where can I buy Cassiglucin?
You can request a quote for Cassiglucin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cassiglucin?
Yes, KEHONG BIO provides custom synthesis services for Cassiglucin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.