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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038680

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-(7-methoxy-4-oxo-3,5-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]oxane-2-carboxylic acid

Formula: C22H20O22S3  |  Mol. Weight: 732.60 g/mol

IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-(7-methoxy-4-oxo-3,5-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]oxane-2-carboxylic acid

Overview

Molecular Formula C22H20O22S3
Molecular Weight 732.60 g/mol
Canonical SMILES COC1=CC2=C(C(=C1)OS(=O)(=O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)OS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)OS(=O)(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy