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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039026

[(2S,3R,4R,5R,6S)-2-[3-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methylpropanoate

Formula: C33H38O17  |  Mol. Weight: 706.60 g/mol

IUPAC: [(2S,3R,4R,5R,6S)-2-[3-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methylpropanoate

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Overview

Molecular Formula C33H38O17
Molecular Weight 706.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)OC(=O)C)O)C5=CC=C(C=C5)O)O)OC(=O)C(C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy