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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038636

bis[[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexyl]methyl] (2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedioate

Formula: C50H70O23  |  Mol. Weight: 1039.10 g/mol

IUPAC: bis[[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexyl]methyl] (2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedioate

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Overview

Molecular Formula C50H70O23
Molecular Weight 1039.10 g/mol
Canonical SMILES C1CC(C(CC1COC(=O)C(=CC2=CC=C(C=C2)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OCC4CCC(C(C4)O)(CCOC5C(C(C(C(O5)CO)O)O)O)CO)O)(CCOC6C(C(C(C(O6)CO)O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy