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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015615

Theograndin II

Formula: C21H18O16S  |  Mol. Weight: 558.40 g/mol

IUPAC: (2S,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]oxy-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

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Overview

Molecular Formula C21H18O16S
Molecular Weight 558.40 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)OS(=O)(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy