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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005350

(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-6-[[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,22S)-2,22-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Formula: C46H76O17  |  Mol. Weight: 901.10 g/mol

IUPAC: (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-6-[[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,22S)-2,22-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C46H76O17
Molecular Weight 901.10 g/mol
Canonical SMILES CC1(CC2C34CCC5C6(CCC(C(C6CCC5(C3(CC(C2(CO4)C(C1)O)O)C)C)(C)C)OC7C(C(C(CO7)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)O)O)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy