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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005894

(2S,3R,4S)-4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula: C26H35NO11  |  Mol. Weight: 537.60 g/mol

IUPAC: (2S,3R,4S)-4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

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Overview

Molecular Formula C26H35NO11
Molecular Weight 537.60 g/mol
Canonical SMILES COC1=C(C=C2C(NCCC2=C1)CC3C(C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O)C=C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy