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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012699

2H-Pyran-5-carboxylic acid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-, methyl ester, (2S,3R,4S)-

Formula: C25H32O14  |  Mol. Weight: 556.50 g/mol

IUPAC: methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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Overview

Molecular Formula C25H32O14
Molecular Weight 556.50 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(=CO2)C(=O)OC)CC=O)C=C)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy