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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005641

5-methyl-2-[2-[5-methyl-3-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]propan-2-yl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-3-one

Formula: C25H36O16  |  Mol. Weight: 592.50 g/mol

IUPAC: 5-methyl-2-[2-[5-methyl-3-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]propan-2-yl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-3-one

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Overview

Molecular Formula C25H36O16
Molecular Weight 592.50 g/mol
Canonical SMILES CC1=C(C(=O)C(O1)C(C)(C)C2C(=O)C(=C(O2)C)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy