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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009694

methyl (4S,5E,6S)-5-ethylidene-4-[2-[(1S,2R,3S,4S)-3-(hydroxymethyl)-4-[(2R)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Formula: C27H42O13  |  Mol. Weight: 574.60 g/mol

IUPAC: methyl (4S,5E,6S)-5-ethylidene-4-[2-[(1S,2R,3S,4S)-3-(hydroxymethyl)-4-[(2R)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

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Overview

Molecular Formula C27H42O13
Molecular Weight 574.60 g/mol
Canonical SMILES CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OC3CC(C(C3C)CO)C(C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy