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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005956

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol

Formula: C22H28O13  |  Mol. Weight: 500.40 g/mol

IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol

Overview

Molecular Formula C22H28O13
Molecular Weight 500.40 g/mol
Canonical SMILES C1=CC2=C(C=CC(=C2C(=C1)O)OC3C(C(C(C(O3)CO)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