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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008811

[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Formula: C31H38O18  |  Mol. Weight: 698.60 g/mol

IUPAC: [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

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Overview

Molecular Formula C31H38O18
Molecular Weight 698.60 g/mol
Canonical SMILES CC(=O)OC1C(OC(C(C1O)O)OC2C(C3CCOC(=O)C3=CO2)C=C)COC(=O)C4=C(C(=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy