Chem
J-GLOBAL ID：200907001647207460   Nikkaji number：J2.248.618G

Octyl 6-O-[2-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-4-[(2-naphthyl)carbonylamino]-4-deoxy-α-L-rhamnopyranosyl]-β-D-glucopyranoside

オクチル6-O-[2-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-4-[(2-ナフチル)カルボニルアミノ]-4-デオキシ-α-L-ラムノピラノシル]-β-D-グルコピラノシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C39H58N2O15
Molecular formula furigana： C39-H58-N2-O15
Molecular weight： 794.892
InChI： InChI=1S/C39H58N2O15/c1-4-5-6-7-8-11-16-51-38-34(49)33(48)30(45)26(55-38)19-52-39-35(56-37-28(40-21(3)43)31(46)29(44)25(18-42)54-37)32(47)27(20(2)53-39)41-36(50)24-15-14-22-12-9-10-13-23(22)17-24/h9-10,12-15,17,20,25-35,37-39,42,44-49H,4-8,11,16,18-19H2,1-3H3,(H,40,43)(H,41,50)/t20-,25+,26+,27-,28+,29+,30+,31+,32+,33-,34+,35+,37-,38+,39+/m0/s1
InChI key： WZYPFXFDNSPVJY-GMPHUPOMSA-N
SMILES： CCCCCCCCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](NC(=O)c3ccc4ccccc4c3)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • オクチル6-O-[2-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-4-[(2-ナフチル)カルボニルアミノ]-4-デオキシ-α-L-ラムノピラノシル]-β-D-グルコピラノシド
  • N-[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-ヒドロキシ-2-メチル-6-{[(2R,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(オクチルオキシ)オキサン-2-イル]メトキシ}オキサン-3-イル]ナフタレン-2-カルボキサミド
  • N-[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-2-methyl-6-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(octyloxy)oxan-2-yl]methoxy}oxan-3-yl]naphthalene-2-carboxamide
Other name (1)：
  • Octyl 6-O-[2-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-4-[(2-naphthyl)carbonylamino]-4-deoxy-α-L-rhamnopyranosyl]-β-D-glucopyranoside
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