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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038008

(2S,3R,4S,5R)-2-[[(1S,2S,4S,12R,16R,18S,21R)-8-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxy-4,6,12,17,17-pentamethyl-9-azahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-5(10),6,8,13-tetraen-18-yl]oxy]oxane-3,4,5-triol

Formula: C35H51NO8  |  Mol. Weight: 613.80 g/mol

IUPAC: (2S,3R,4S,5R)-2-[[(1S,2S,4S,12R,16R,18S,21R)-8-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxy-4,6,12,17,17-pentamethyl-9-azahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-5(10),6,8,13-tetraen-18-yl]oxy]oxane-3,4,5-triol

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Overview

Molecular Formula C35H51NO8
Molecular Weight 613.80 g/mol
Canonical SMILES CC1=CC(=NC2=C1C3(CC(C45CC46CCC(C(C6CC=C5C3(C2)C)(C)C)OC7C(C(C(CO7)O)O)O)O)C)C(C(C)(C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy