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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031174

(2S,3R,4S,5S,6R)-2-[[(5S,6R,7S)-6-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,4-dihydroxy-5,7-bis(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C40H44O18  |  Mol. Weight: 812.80 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[[(5S,6R,7S)-6-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,4-dihydroxy-5,7-bis(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C40H44O18
Molecular Weight 812.80 g/mol
Canonical SMILES C1C(C(C(C2=C1C(=C(C=C2O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)C5=C(C(=CC(=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)C7=CC=C(C=C7)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy