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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003105

(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol

Formula: C45H38O16  |  Mol. Weight: 834.80 g/mol

IUPAC: (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol

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Overview

Molecular Formula C45H38O16
Molecular Weight 834.80 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)C4=CC5=C(C(=C4O)O)OC(C(C5C6=CC7=C(C(=C6O)O)OC(C(C7O)O)C8=CC=C(C=C8)O)O)C9=CC=C(C=C9)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy