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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008272

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C29H36O14  |  Mol. Weight: 608.60 g/mol

IUPAC: [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C29H36O14
Molecular Weight 608.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC2(COC(C2O)OCC3C(C(C(C(O3)OCCC4=CC=C(C=C4)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy