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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009480

(1R,2S,5S)-2-[(1S)-1-carboxy-2-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxyethyl]-5-methylcyclopentane-1-carboxylic acid

Formula: C27H38O15  |  Mol. Weight: 602.60 g/mol

IUPAC: (1R,2S,5S)-2-[(1S)-1-carboxy-2-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxyethyl]-5-methylcyclopentane-1-carboxylic acid

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Overview

Molecular Formula C27H38O15
Molecular Weight 602.60 g/mol
Canonical SMILES CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC(C3CCC(C3C(=O)O)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy