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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000859

(2S,3R,4S,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol

Formula: C25H38O16  |  Mol. Weight: 594.60 g/mol

IUPAC: (2S,3R,4S,5S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C25H38O16
Molecular Weight 594.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)OC4C(C(C(CO4)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy