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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028634

5-hydroxy-2-(hydroxymethyl)-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one

Formula: C21H24O11  |  Mol. Weight: 452.40 g/mol

IUPAC: 5-hydroxy-2-(hydroxymethyl)-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one

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Overview

Molecular Formula C21H24O11
Molecular Weight 452.40 g/mol
Canonical SMILES C1C=C(COC2=C1C3=C(C(=C2)O)C(=O)C=C(O3)CO)COC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy