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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035263

bis[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate

Formula: C72H72O34  |  Mol. Weight: 1481.30 g/mol

IUPAC: bis[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate

Overview

Molecular Formula C72H72O34
Molecular Weight 1481.30 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C(C2C(=O)OCC3C(C(C(C(O3)OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)C(=O)OCC8C(C(C(C(O8)OC9=CC(=C1C(=C9)OC(=CC1=O)C1=CC=C(C=C1)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)C1=CC=C(C=C1)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy