Aurantio-obtusin beta-D-glucoside

Base Information

• Chemical Name: Aurantio-obtusin beta-D-glucoside
• CAS No.: 129025-96-3
• Molecular Formula: C23H24 O12
• Molecular Weight: 492.4295
• DSSTox Substance ID: DTXSID40331926
• Nikkaji Number: J2.773.010H
• Wikidata: Q27103598
• Metabolomics Workbench ID: 51649
• ChEMBL ID: CHEMBL464229
• Mol file: 129025-96-3.mol

Synonyms:Aurantio-obtusin beta-D-glucoside;129025-96-3;AURANTIO-OBTUSIN-6-O-BETA-D-GLUCOSIDE;CHEBI:28268;Gluco-Aurantioobtusin;Aurantio-obtusin |A-D-glucoside;CHEMBL464229;1,7-dihydroxy-2,8-dimethoxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione;4,6-dihydroxy-3,5-dimethoxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl beta-D-glucopyranoside;DTXSID40331926;HY-N4179;BDBM50133039;AKOS037515344;MS-29148;CS-0032368;Q27103598

Chemical Property of Aurantio-obtusin beta-D-glucoside

Chemical Property:

• Vapor Pressure: 2.4E-30mmHg at 25°C
• Boiling Point: 845°Cat760mmHg
• PKA: 5.92±0.20(Predicted)
• Flash Point: 292.1°C
• PSA: 192.44000
• Density: 1.602g/cm³
• LogP: -0.62250
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 492.12677620
• Heavy Atom Count: 35
• Complexity: 793

Purity/Quality:

95%-98% ^*data from raw suppliers

Aurantio-obtusinbeta-D-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)OC)O
• Isomeric SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
• Uses: Glucoaurantio-obtusin can be used to determine the effects of ethanol toxicity of Cassia tora L seeds in rats. It can also be used to identify the effect on mercury-induced toxicity.