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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037676

1-(5-Carboxy-2,3-dihydroxyphenoxy)-3-(6-carboxy-2,3,4-trihydroxyphenyl)-8-[[6,7,8,11,12,13,22-heptahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20-trioxatetracyclo[16.3.1.04,9.010,15]docosa-4,6,8,10,12,14-hexaen-19-yl]oxycarbonyl]-4,6-dihydroxydibenzo-p-dioxin-2-carboxylic acid

Formula: C48H32O31  |  Mol. Weight: 1104.70 g/mol

IUPAC: 1-(5-carboxy-2,3-dihydroxyphenoxy)-3-(6-carboxy-2,3,4-trihydroxyphenyl)-8-[[6,7,8,11,12,13,22-heptahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20-trioxatetracyclo[16.3.1.04,9.010,15]docosa-4,6,8,10,12,14-hexaen-19-yl]oxycarbonyl]-4,6-dihydroxydibenzo-p-dioxin-2-carboxylic acid

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Overview

Molecular Formula C48H32O31
Molecular Weight 1104.70 g/mol
Canonical SMILES C1=C(C=C2C(=C1O)OC3=C(C(=C(C(=C3O2)OC4=CC(=CC(=C4O)O)C(=O)O)C(=O)O)C5=C(C(=C(C=C5C(=O)O)O)O)O)O)C(=O)OC6C7C(C(C(O6)CO)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy