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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009768

[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate

Formula: C28H36O16  |  Mol. Weight: 628.60 g/mol

IUPAC: [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate

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Overview

Molecular Formula C28H36O16
Molecular Weight 628.60 g/mol
Canonical SMILES COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(COC(=O)C4=CC(=C(C=C4)O)OC)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy