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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010532

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

Formula: C37H32O12S  |  Mol. Weight: 700.70 g/mol

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

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Overview

Molecular Formula C37H32O12S
Molecular Weight 700.70 g/mol
Canonical SMILES C1=CC=C(C=C1)CSC2C(C(OC3=C(C(=CC(=C23)O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy