Isoschimawalin A

Base Information

• Chemical Name: Isoschimawalin A
• CAS No.: 143201-45-0
• Molecular Formula: C55H34 O35
• Wikidata: Q105221145
• Mol file: 143201-45-0.mol

Synonyms:Isoschimawalin A;143201-45-0;D-Glucose, cyclic 4-2:6-2'-((1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)(1)benzopyran-2-yl)oxy)-3,4,5-trihydroxybenzoate)-3-(3,4,5-trihydroxybenzoate);2-[hexahydroxy-dioxo-[3-oxo-1-(3,4,5-trihydroxybenzoyl)oxy-2-[3,4,5-trihydroxy-2-[trihydroxy(dioxo)[?]yl]oxy-benzoyl]oxy-propyl][?]yl]oxy-3,4,5-trihydroxy-benzoic acid;D-Glucose, cyclic 4.fwdarw.2:6.fwdarw.2'-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 2-[2-[(5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-2-yl)oxy]-3,4,5-trihydroxybenzoate]-3-(3,4,5-trihydroxybenzoate)

Chemical Property of Isoschimawalin A

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 35
• Rotatable Bond Count: 14
• Exact Mass: 1254.0880628
• Heavy Atom Count: 90
• Complexity: 2670

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(=O)OC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)OC4=C(C(=C(C=C4C(=O)O)O)O)O)C(C(C=O)OC(=O)C5=CC(=C(C(=C5OC6=C(C7=C8C(=C6)C(=O)OC9=C8C(=CC(=C9O)O)C(=O)O7)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O