4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl beta-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)

Base Information

• Chemical Name: 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl beta-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)
• CAS No.: 116107-19-8
• Molecular Formula: C₂₇H₂₆O₁₃
• Molecular Weight: 558.496
• DSSTox Substance ID: DTXSID201111056
• Wikidata: Q105300812

Synonyms:DTXSID201111056;116107-19-8;4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl beta-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)

Chemical Property of 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl beta-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 558.13734088
• Heavy Atom Count: 40
• Complexity: 834

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Safty Information:

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Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O

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