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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002065

methyl (2S,3R,4S)-4-[[(1R,4R)-2-acetyl-4,6,7-trihydroxy-3,4-dihydro-1H-isoquinolin-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-carboxylate

Formula: C27H35NO13  |  Mol. Weight: 581.60 g/mol

IUPAC: methyl (2S,3R,4S)-4-[[(1R,4R)-2-acetyl-4,6,7-trihydroxy-3,4-dihydro-1H-isoquinolin-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-carboxylate

Overview

Molecular Formula C27H35NO13
Molecular Weight 581.60 g/mol
Canonical SMILES CC(=O)N1CC(C2=CC(=C(C=C2C1CC3C(C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C=C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy