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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039166

3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one

Formula: C28H32O16  |  Mol. Weight: 624.50 g/mol

IUPAC: 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one

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Overview

Molecular Formula C28H32O16
Molecular Weight 624.50 g/mol
Canonical SMILES COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)C5=CC(=C(C=C5)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy