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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002395

(1R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2R,3S,4S,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-7-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde

Formula: C47H74O17  |  Mol. Weight: 911.10 g/mol

IUPAC: (1R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2R,3S,4S,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-7-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde

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Overview

Molecular Formula C47H74O17
Molecular Weight 911.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3COC(C(C3O)O)OC4CCC5(C6CCC78C9CC(CCC9(CCC7(C6(CC(=O)C5C4(C)C)C)C)CO8)(C)C=O)C)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy