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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038569

[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-4,5-dihydroxyoxan-2-yl]methyl acetate

Formula: C36H42O20  |  Mol. Weight: 794.70 g/mol

IUPAC: [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-4,5-dihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C36H42O20
Molecular Weight 794.70 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2=C(C(=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)OC)O)O)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)O)O)O)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy