2,2'-(4,4',5,5',6,6'-Hexahydroxy-[1,1'-biphenyl]-2,2'-diyl)bis(5,7-dihydroxychroman-3,2-diyl) bis(3,4,5-trihydroxybenzoate)

Base Information

• Chemical Name: 2,2'-(4,4',5,5',6,6'-Hexahydroxy-[1,1'-biphenyl]-2,2'-diyl)bis(5,7-dihydroxychroman-3,2-diyl) bis(3,4,5-trihydroxybenzoate)
• CAS No.: 116403-62-4
• Molecular Formula: C44H34 O22
• ChEMBL ID: CHEMBL1394337
• DSSTox Substance ID: DTXSID101317247
• Wikidata: Q105364979

Synonyms:2,2'-(4,4',5,5',6,6'-Hexahydroxy-[1,1'-biphenyl]-2,2'-diyl)bis(5,7-dihydroxychroman-3,2-diyl) bis(3,4,5-trihydroxybenzoate);CHEMBL1394337;SCHEMBL21751976;DTXSID101317247;NCGC00094735-01;116403-62-4;2-,2--BISEPIGALLOCATECHIN DIGALLATE

Chemical Property of 2,2'-(4,4',5,5',6,6'-Hexahydroxy-[1,1'-biphenyl]-2,2'-diyl)bis(5,7-dihydroxychroman-3,2-diyl) bis(3,4,5-trihydroxybenzoate)

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 9
• Exact Mass: 914.15417271
• Heavy Atom Count: 66
• Complexity: 1530

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• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O

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