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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025430

(2S,3R,4S,5S,6R)-2-[4-[(1R,2S)-1,3-dihydroxy-2-[4-(3-hydroxybutyl)-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C29H42O14  |  Mol. Weight: 614.60 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[4-[(1R,2S)-1,3-dihydroxy-2-[4-(3-hydroxybutyl)-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C29H42O14
Molecular Weight 614.60 g/mol
Canonical SMILES CC(CCC1=CC(=C(C(=C1)OC)OC(CO)C(C2=CC(=C(C(=C2)OC)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy