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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012557

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

Formula: C28H38O14  |  Mol. Weight: 598.60 g/mol

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

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Overview

Molecular Formula C28H38O14
Molecular Weight 598.60 g/mol
Canonical SMILES CC1CC2=C(C3=C(C(=CC=C3)OC)C(=C2C(O1)C)O)OC4C(C(C(C(O4)COC5C(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