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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004465

[(2R,3S,4S,5R,6R)-5-acetyloxy-4-hydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Formula: C32H36O16  |  Mol. Weight: 676.60 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-5-acetyloxy-4-hydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C32H36O16
Molecular Weight 676.60 g/mol
Canonical SMILES CC(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)OC(=O)C=CC3=CC=C(C=C3)O)CO)CO)OC(=O)C=CC4=CC=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy