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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005539

[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C34H37NO13  |  Mol. Weight: 667.70 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Overview

Molecular Formula C34H37NO13
Molecular Weight 667.70 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C4CC5C6=CC(=C(C=C6CCN5C(=O)C4=CO3)O)O)C=C)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy