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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015059

methyl (2S,3R,4S)-3-ethenyl-4-[(E)-4-methoxy-4-oxobut-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Formula: C20H28O11  |  Mol. Weight: 444.40 g/mol

IUPAC: methyl (2S,3R,4S)-3-ethenyl-4-[(E)-4-methoxy-4-oxobut-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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Overview

Molecular Formula C20H28O11
Molecular Weight 444.40 g/mol
Canonical SMILES COC(=O)CC=CC1C(C(OC=C1C(=O)OC)OC2C(C(C(C(O2)CO)O)O)O)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy