Chryso-obtusin glucoside

Base Information

• Chemical Name: Chryso-obtusin glucoside
• CAS No.: 96820-54-1
• Molecular Formula: C25H28 O12
• Molecular Weight: 520.49
• DSSTox Substance ID: DTXSID20331929
• Nikkaji Number: J3.130.635C
• Wikidata: Q27106163
• Metabolomics Workbench ID: 69430
• ChEMBL ID: CHEMBL465439
• Mol file: 96820-54-1.mol

Synonyms:Chryso-obtusin glucoside;gluco-chrysoobtusin;CHEBI:3685;CHEMBL465439;C10313;96820-54-1;1,2,3,8-tetramethoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione;AC1L9DB5;DTXSID20331929;Q27106163;1,6,7,8-Tetramethoxy-2-(beta-D-glucopyranosyloxy)-3-methylanthracene-9,10-dione;1,2,3,8-tetramethoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione

Chemical Property of Chryso-obtusin glucoside

Chemical Property:

• Vapor Pressure: 2.6E-27mmHg at 25°C
• Boiling Point: 804.3°C at 760 mmHg
• Flash Point: 272.3°C
• PSA: 170.44000
• Density: 1.452g/cm³
• LogP: -0.01650
• XLogP3: 1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 520.15807632
• Heavy Atom Count: 37
• Complexity: 824

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1OC3C(C(C(C(O3)CO)O)O)O)OC)C(=O)C4=C(C(=C(C=C4C2=O)OC)OC)OC
• Isomeric SMILES: CC1=CC2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)C(=O)C4=C(C(=C(C=C4C2=O)OC)OC)OC