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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005540

[(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-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: C35H39NO13  |  Mol. Weight: 681.70 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-2-[[(1R,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-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

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Overview

Molecular Formula C35H39NO13
Molecular Weight 681.70 g/mol
Canonical SMILES COC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C=C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy