CALYCOSIN 7-O-beta-D-GLUCOSIDE

Base Information

• Chemical Name: CALYCOSIN 7-O-beta-D-GLUCOSIDE
• CAS No.: 20633-67-4
• Molecular Formula: C22H22O10
• Molecular Weight: 446.411
• Hs Code.: 2932996560
• UNII: 247AW3A88C
• Nikkaji Number: J460.650G
• Wikidata: Q27159206
• Pharos Ligand ID: SUWDMMNKLDVT
• Metabolomics Workbench ID: 131013
• ChEMBL ID: CHEMBL3289608
• Mol file: 20633-67-4.mol

Synonyms:calycosin-7-O-beta-D-glucoside;ononin

Chemical Property of CALYCOSIN 7-O-beta-D-GLUCOSIDE

Chemical Property:

• Vapor Pressure: 2.51E-23mmHg at 25°C
• Refractive Index: 1.674
• Boiling Point: 745.2 °C at 760 mmHg
• PKA: 9.48±0.10(Predicted)
• Flash Point: 262 °C
• PSA: 159.05000
• Density: 1.545 g/cm³
• LogP: 0.35290
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 446.12129689
• Heavy Atom Count: 32
• Complexity: 698

Purity/Quality:

Calycosin-7-O-β-D-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
• Isomeric SMILES: COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• Uses: Calycosin 7-O-β-D-glucoside is one of seven constituent in Guanjiekang (GJK) that is formed by five medicinal herbs that is used for the rheumatoid arthritis (RA).

Technology Process of CALYCOSIN 7-O-beta-D-GLUCOSIDE

There total 8 articles about CALYCOSIN 7-O-beta-D-GLUCOSIDE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3'-acetoxy-4'-methoxy isoflavones-7-O-β-D-tetraacetoxyglucoside → calycosin-7-O-β-D-glucopyranoside (20633-67-4)

Guidance literature:

With sodium methylate; In methanol; at 0 ℃; for 2h;

Reference yield:

UDP-glucose (133-89-1) + calycosin (20575-57-9) → calycosin-7-O-β-D-glucopyranoside (20633-67-4)

Guidance literature:

With flavonoid 7-O-glucosyltransferase from Andrographis paniculata; In methanol; at 30 ℃; for 12h; Enzymatic reaction;

DOI:10.1080/10286020.2019.1680644

Reference yield:

β-D-glucose (492-61-5) + calycosin (20575-57-9) → calycosin-7-O-β-D-glucopyranoside (20633-67-4)

Guidance literature:

In water; at 110 ℃; for 2h;

upstream raw materials:

3',7-diacetoxy-4'-methoxyisoflavone

calycosin

recorcinol

homoisovanillic acid

Refernces

• 1、 -. "A flavonoid glucoside preparation method (by machine translation)". Paragraph 0053-0054. . Retrieved 2018/09/08.