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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014248

[(2S,3S,4R,5R)-2-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-phenylprop-2-enoate

Formula: C38H46O20  |  Mol. Weight: 822.80 g/mol

IUPAC: [(2S,3S,4R,5R)-2-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C38H46O20
Molecular Weight 822.80 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC=CC=C4)CO)O)O)OC(=O)C=CC5=CC=C(C=C5)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy