Emodin-8-glucoside

Base Information

• Chemical Name: Emodin-8-glucoside
• CAS No.: 23313-21-5
• Molecular Formula: C21H20 O10
• Molecular Weight: 432.384
• Hs Code.: 29389090
• UNII: YY0Q8Q1T3H
• Nikkaji Number: J122.410G
• Wikidata: Q27106478
• Metabolomics Workbench ID: 27923
• ChEMBL ID: CHEMBL464360
• Mol file: 23313-21-5.mol

Synonyms:anthraglycoside B

Chemical Property of Emodin-8-glucoside

Chemical Property:

• Vapor Pressure: 6.45E-27mmHg at 25°C
• Melting Point: 219-220 °C
• Boiling Point: 798.7°Cat760mmHg
• PKA: 6.27±0.20(Predicted)
• Flash Point: 284.2°C
• PSA: 173.98000
• Density: 1.667g/cm³
• LogP: -0.63970
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 432.10564683
• Heavy Atom Count: 31
• Complexity: 700

Purity/Quality:

98%,99%, ^*data from raw suppliers

Emodin 1-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O
• Isomeric SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• Uses: A glucoside metabolite of Emodin (E523000).

Technology Process of Emodin-8-glucoside

There total 3 articles about Emodin-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:

1,6,8-trihydroxy-3-methyl-9,10-anthraquinone (518-82-1) + icariin (489-32-7) → anthraglycoside B (23313-21-5) + icariside II (113558-15-9)

Guidance literature:

With glycosyltransferase from Carthamus tinctorius (L_.) (Honghua) recombinant; UDP; Cleland's reagent; In aq. buffer; at 30 ℃; for 12h; pH=7.4; regiospecific reaction; Enzymatic reaction;

DOI:10.1021/ol502380p

Reference yield:

UDP-glucose (133-89-1) + 1,6,8-trihydroxy-3-methyl-9,10-anthraquinone (518-82-1) → anthraglycoside B (23313-21-5)

Guidance literature:

With glycosyltransferase from Carthamus tinctorius (L_.) (Honghua) recombinant; In dimethyl sulfoxide; at 30 ℃; for 12h; pH=7.4; Temperature; pH-value; regioselective reaction; Catalytic behavior; Enzymatic reaction;

DOI:10.1021/ol502380p

Reference yield:

→ anthraglycoside B (23313-21-5)

Guidance literature:

6-Benzoyl-emodin-8-mono-β-D-glucosid-tetraacetat, sied.methanol.KOH;

DOI:10.1016/S0040-4020(01)82979-3

upstream raw materials:

UDP-glucose

1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

icariin

Refernces