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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003791

[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxybenzoate

Formula: C28H34O16  |  Mol. Weight: 626.60 g/mol

IUPAC: [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxybenzoate

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Overview

Molecular Formula C28H34O16
Molecular Weight 626.60 g/mol
Canonical SMILES CC(=O)OC1C(C(C(OC1OC2=CC=CC(=C2C(=O)OCC3=CC=CC=C3OC4C(C(C(C(O4)CO)O)O)O)O)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy