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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002342

4-[(2S,3R,4R,5R)-1-[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]-2,3,4,5,6-pentahydroxyhexyl]-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione

Formula: C48H54O27  |  Mol. Weight: 1062.90 g/mol

IUPAC: 4-[(2S,3R,4R,5R)-1-[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]-2,3,4,5,6-pentahydroxyhexyl]-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione

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Overview

Molecular Formula C48H54O27
Molecular Weight 1062.90 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C(C4=C(C(=C(C=CC5=CC=C(C=C5)O)O)C(=O)C(C4=O)(C6C(C(C(C(O6)CO)O)O)O)O)O)C(C(C(C(CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy