Physcion 8-glucoside

Base Information

• Chemical Name: Physcion 8-glucoside
• CAS No.: 26296-54-8
• Molecular Formula: C22H22 O10
• Molecular Weight: 446.411
• DSSTox Substance ID: DTXSID30415749
• Nikkaji Number: J625.774G
• Wikidata: Q27107882
• Metabolomics Workbench ID: 135660
• ChEMBL ID: CHEMBL457944
• Mol file: 26296-54-8.mol

Synonyms:26296-54-8;Physcion 8-glucoside;1-Hydroxy-3-methoxy-6-methyl-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)anthracene-9,10-dione;Physcion 1-O-beta-D-glucoside;Physion 8-O-|A-D-glucoside;Physion 8-O-beta-D-glucoside;CHEBI:8185;Physcion-1-O-beta-D-Glucopyranoside;1-hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione;9,10-Anthracenedione, 1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methoxy-3-methyl-;Physcion-8-glucoside;9?10-Anthracenedione;physcion 8-O-glucoside;Physcion-8-beta-D-glucoside;CHEMBL457944;DTXSID30415749;HY-N2107;AKOS016010612;AC-34142;MS-28050;CS-0018628;F17662;A877279;Q27107882

Chemical Property of Physcion 8-glucoside

Chemical Property:

• Melting Point: 235℃
• Boiling Point: 796.3°Cat760mmHg
• PKA: 6.29±0.20(Predicted)
• Flash Point: 280.3°C
• PSA: 162.98000
• Density: 1.567g/cm³
• LogP: -0.33670
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 446.12129689
• Heavy Atom Count: 32
• Complexity: 715

Purity/Quality:

99%, ^*data from raw suppliers

Physcion1-O-beta-D-glucoside(NewProduct) 98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)OC
• Isomeric SMILES: CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)OC

Technology Process of Physcion 8-glucoside

There total 4 articles about Physcion 8-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:

physcion (521-61-9) + uridine-5′-diphosphoglucuronic acid (106864-00-0,14520-48-0,30329-32-9,3545-73-1,5918-40-1) → physcion-1-O-glucuronide + physcion-8-O-β-D-glucopyranoside (26296-54-8)

Guidance literature:

With recombinant human UGT 1A₉ isoform; at 37 ℃; for 4h;

DOI:10.1016/j.cbi.2014.05.006

Reference yield:

C28H28O17 → physcion-8-O-β-D-glucopyranoside (26296-54-8)

Guidance literature:

With hydrogenchloride; ascorbic acid; at 60 ℃; for 0.25h;

DOI:10.1016/j.cbi.2014.05.006

Reference yield:

physcion (521-61-9) → physcion-8-O-β-D-glucopyranoside (26296-54-8)

Guidance literature:

Multi-step reaction with 3 steps

1: recombinant human UGT 1A₉ isoform / 4 h / 37 °C

2: uridine-5′-diphosphoglucuronic acid / 2 h

3: hydrogenchloride; ascorbic acid / 0.25 h / 60 °C

With hydrogenchloride; recombinant human UGT 1A₉ isoform; uridine-5′-diphosphoglucuronic acid; ascorbic acid;

DOI:10.1016/j.cbi.2014.05.006

upstream raw materials:

physcion

uridine-5′-diphosphoglucuronic acid

Refernces