(1E)-N-[(2S,3R,4Z)-1-({2-Deoxy-2-[(Z)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl}oxy)-3-hydroxy-4-octadecen-2-yl]ethanimidic acid

More details:

• Systematic name

  (1E)-N-[(2S,3R,4Z)-1-({2-Deoxy-2-[(Z)-(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl}oxy)-3-hydroxy-4-octadecen-2-yl]ethanimidic acid

• SMILES

  [H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(C)O CCCCCCCCCCCCC/C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)/N=C(/C)\O)O)O)O)/N=C(\C)/O)O

• Std. InChi

  InChI=1S/C40H72N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(48)24(41-22(2)46)21-55-39-34(53)33(52)36(28(20-45)58-39)59-40-35(54)37(31(50)27(19-44)57-40)60-38-29(42-23(3)47)32(51)30(49)26(18-43)56-38/h16-17,24-40,43-45,48-54H,4-15,18-21H2,1-3H3,(H,41,46)(H,42,47)/b17-16-/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36+,37-,38-,39+,40-/m0/s1

• Std. InChIKey

  IZUGJFIVXAZJFA-XGICGGKUSA-N

• Cite this record

  CSID:59664379, http://www.chemspider.com/Chemical-Structure.59664379.html (accessed 12:58, Apr 19, 2024)