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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013066

(3S)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one

Formula: C21H22O9  |  Mol. Weight: 418.40 g/mol

IUPAC: (3S)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one

Overview

Molecular Formula C21H22O9
Molecular Weight 418.40 g/mol
Canonical SMILES C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy