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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004120

[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C29H32O16  |  Mol. Weight: 636.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C29H32O16
Molecular Weight 636.60 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy