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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025566

bis[[(2R,3S,4S,5R,6S)-6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate

Formula: C42H44O20  |  Mol. Weight: 868.80 g/mol

IUPAC: bis[[(2R,3S,4S,5R,6S)-6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate

Overview

Molecular Formula C42H44O20
Molecular Weight 868.80 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C(C2C(=O)OCC3C(C(C(C(O3)OC4=CC(=CC(=C4)O)O)O)O)O)C(=O)OCC5C(C(C(C(O5)OC6=CC(=CC(=C6)O)O)O)O)O)C7=CC=C(C=C7)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy