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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026859

(2S,3S,4R,5R,6R)-2-[(2R,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-2-[(2R,3R,4R,5R,6R)-6-[(1S,2R,3S,4S,5'R,6S,7R,8S,9R,12S,13S,15S,16S,18R)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C56H92O29  |  Mol. Weight: 1229.30 g/mol

IUPAC: (2S,3S,4R,5R,6R)-2-[(2R,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-2-[(2R,3R,4R,5R,6R)-6-[(1S,2R,3S,4S,5'R,6S,7R,8S,9R,12S,13S,15S,16S,18R)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C56H92O29
Molecular Weight 1229.30 g/mol
Canonical SMILES CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy