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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006446

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(1R)-10-hydroxy-9-methoxy-1,3-dimethyl-1H-benzo[g]isochromen-5-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C28H36O14  |  Mol. Weight: 596.60 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(1R)-10-hydroxy-9-methoxy-1,3-dimethyl-1H-benzo[g]isochromen-5-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C28H36O14
Molecular Weight 596.60 g/mol
Canonical SMILES CC1C2=C(C3=C(C=CC=C3OC)C(=C2C=C(O1)C)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy