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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038646

methyl (4S,6S)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-ethylidene-4-[2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl]-4H-pyran-3-carboxylate

Formula: C31H42O17  |  Mol. Weight: 686.70 g/mol

IUPAC: methyl (4S,6S)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-ethylidene-4-[2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl]-4H-pyran-3-carboxylate

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Overview

Molecular Formula C31H42O17
Molecular Weight 686.70 g/mol
Canonical SMILES CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)C(=O)OC)CC(=O)OC4=CC=C(C=C4)CCO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy