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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028473

(2R,3R,4S)-8-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

Formula: C45H38O13  |  Mol. Weight: 786.80 g/mol

IUPAC: (2R,3R,4S)-8-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

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Overview

Molecular Formula C45H38O13
Molecular Weight 786.80 g/mol
Canonical SMILES C1C(C2=C(C=C(C=C2)O)OC1C3=CC=C(C=C3)O)C4=C5C(=C(C=C4O)O)C(C(C(O5)C6=CC=C(C=C6)O)O)C7=C(C=C(C8=C7OC(C(C8)O)C9=CC=C(C=C9)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy