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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003850

(2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C27H36O14  |  Mol. Weight: 584.60 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C27H36O14
Molecular Weight 584.60 g/mol
Canonical SMILES CC1=CC(=CC(=C1CC2=C(C=C(C=C2C)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy