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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033691

methyl (2S,3S,4R)-3-ethenyl-4-[[(2S,4S,6R)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Formula: C29H40O12  |  Mol. Weight: 580.60 g/mol

IUPAC: methyl (2S,3S,4R)-3-ethenyl-4-[[(2S,4S,6R)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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Overview

Molecular Formula C29H40O12
Molecular Weight 580.60 g/mol
Canonical SMILES COC(=O)C1=COC(C(C1CC2CC(CC(O2)CCC3=CC=C(C=C3)O)O)C=C)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy