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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032162

methyl (4S,5E,6S)-5-(2-hydroxyethylidene)-4-[2-[2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Formula: C31H42O19  |  Mol. Weight: 718.70 g/mol

IUPAC: methyl (4S,5E,6S)-5-(2-hydroxyethylidene)-4-[2-[2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

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Overview

Molecular Formula C31H42O19
Molecular Weight 718.70 g/mol
Canonical SMILES COC(=O)C1=COC(C(=CCO)C1CC(=O)OCCC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy