Gallic acid 3-O-(6'-O-galloyl)-beta-D-glucopyranoside

Base Information

• Chemical Name: Gallic acid 3-O-(6'-O-galloyl)-beta-D-glucopyranoside
• CAS No.: 87087-61-4
• Molecular Formula: C₂₀H₂₀O₁₄
• Molecular Weight: 484.37
• DSSTox Substance ID: DTXSID301228212
• Nikkaji Number: J1.816.097H
• Wikidata: Q105184777

Synonyms:Compound NP-024744;DTXSID301228212;AKOS040736999;Gallic acid 3-O-(6'-O-galloyl)-beta-D-glucopyranoside;1-O-(3-Carboxy-5,6-dihydroxyphenyl)-6-O-galloyl-beta-D-glucopyranose;87087-61-4

Chemical Property of Gallic acid 3-O-(6'-O-galloyl)-beta-D-glucopyranoside

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 484.08530531
• Heavy Atom Count: 34
• Complexity: 707

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Safty Information:

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Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O
• Isomeric SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O

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