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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009738

[(2S,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl acetate

Formula: C28H30O16  |  Mol. Weight: 622.50 g/mol

IUPAC: [(2S,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl acetate

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Overview

Molecular Formula C28H30O16
Molecular Weight 622.50 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)OC(=C(C3=O)OC4C(C(C(O4)COC(=O)C)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy