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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038563

(2S,3R,4S)-3-ethenyl-4-[2-[1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-9H-pyrido[3,4-b]indol-4-yl]ethyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula: C43H52N2O18  |  Mol. Weight: 884.90 g/mol

IUPAC: (2S,3R,4S)-3-ethenyl-4-[2-[1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-9H-pyrido[3,4-b]indol-4-yl]ethyl]-2-[(2R,3S,4R,5R,6S)-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 C43H52N2O18
Molecular Weight 884.90 g/mol
Canonical SMILES COC(=O)C1=COC(C(C1CC2=NC=C(C3=C2NC4=CC=CC=C43)CCC5C(C(OC=C5C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)C=C)C=C)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy