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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003351

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E)-2-methyl-6-oxohepta-2,4-dienoate

Formula: C20H30O13  |  Mol. Weight: 478.40 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E)-2-methyl-6-oxohepta-2,4-dienoate

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Overview

Molecular Formula C20H30O13
Molecular Weight 478.40 g/mol
Canonical SMILES CC(=O)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy