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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012039

(3R)-3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-8-hydroxy-3,4-dihydroisochromen-1-one

Formula: C26H30O13  |  Mol. Weight: 550.50 g/mol

IUPAC: (3R)-3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-8-hydroxy-3,4-dihydroisochromen-1-one

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Overview

Molecular Formula C26H30O13
Molecular Weight 550.50 g/mol
Canonical SMILES C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy