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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039018

[(2R,3R,4S,5S,6S)-6-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C32H36O19  |  Mol. Weight: 724.60 g/mol

IUPAC: [(2R,3R,4S,5S,6S)-6-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C32H36O19
Molecular Weight 724.60 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C4=C(C(=C3)O)C(=O)C=C(O4)C5=CC(=C(C=C5)OC)O)O)COC(=O)C)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy