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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004955

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

Formula: C27H31NO14  |  Mol. Weight: 593.50 g/mol

IUPAC: 5-[(E)-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene]-hydroxymethyl]-6-hydroxy-2-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-6-[(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 C27H31NO14
Molecular Weight 593.50 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC(=C2C(=O)C=C(C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C(=C4C(C(C(N4)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy