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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018993

(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(2R,7S,10R,17S,20S,25S)-17-(hydroxymethyl)-1,2,6,6,10,17-hexamethyl-23-propyl-22,24-dioxahexacyclo[12.12.0.02,11.05,10.015,20.020,25]hexacos-13-en-7-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C56H92O22  |  Mol. Weight: 1117.30 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(2R,7S,10R,17S,20S,25S)-17-(hydroxymethyl)-1,2,6,6,10,17-hexamethyl-23-propyl-22,24-dioxahexacyclo[12.12.0.02,11.05,10.015,20.020,25]hexacos-13-en-7-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C56H92O22
Molecular Weight 1117.30 g/mol
Canonical SMILES CCCC1OCC23CCC(CC2C4=CCC5C6(CCC(C(C6CCC5(C4(CC3O1)C)C)(C)C)OC7C(C(C(CO7)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy