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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011155

(1R,16S,17R,18S,20R)-17-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-oxa-12-aza-2-azoniapentacyclo[14.3.1.02,14.05,13.06,11]icosa-2(14),3,5(13),6,8,10-hexaene-20-carboxylate

Formula: C26H28N2O9  |  Mol. Weight: 512.50 g/mol

IUPAC: (1R,16S,17R,18S,20R)-17-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-oxa-12-aza-2-azoniapentacyclo[14.3.1.02,14.05,13.06,11]icosa-2(14),3,5(13),6,8,10-hexaene-20-carboxylate

Overview

Molecular Formula C26H28N2O9
Molecular Weight 512.50 g/mol
Canonical SMILES C=CC1C2CC3=[N+](C=CC4=C3NC5=CC=CC=C45)C(C2C(=O)[O-])OC1OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy