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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038234

[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl acetate

Formula: C40H48O22  |  Mol. Weight: 880.80 g/mol

IUPAC: [(2R,3R,4S,5R,6S)-4-acetyloxy-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C40H48O22
Molecular Weight 880.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)O)OC(=O)C)O)O)O)O)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy