Compound 8. Methyl [2-azido-3,6-di-O-benzyl-2-deoxy-4-O-trichloroacetyl-α-D-glucopyranosyl-(1→4)-(methyl 2-O-benzoyl-3-O-benzyl-α-L-idopyranosyl uronate)-(1→4)-2-azido-3,6-di-O-benzyl-2-deoxy-α-D-glucopyranosyl-(1→4)-(phenyl 2-O-benzoyl-3-O-benzyl-1-thio-α/β-L-idopyranoside)]uronate.
Molecular Weight: 1,759.10
Elemental Analysis: C, 61.45; H, 4.98; Cl, 6.05; N, 4.78; O, 20.92; S, 1.82
Standard InChI: InChI=1S/C90H87Cl3N6O23S/c1-105-83(102)77-75(118-86-68(97-99-95)72(110-51-59-36-18-6-19-37-59)70(122-89(104)90(91,92)93)66(114-86)55-108-49-57-32-14-4-15-33-57)73(111-52-60-38-20-7-21-39-60)79(115-81(100)62-42-24-9-25-43-62)87(120-77)117-69-65(54-107-48-56-30-12-3-13-31-56)113-85(67(96-98-94)71(69)109-50-58-34-16-5-17-35-58)119-76-74(112-53-61-40-22-8-23-41-61)80(116-82(101)63-44-26-10-27-45-63)88(121-78(76)84(103)106-2)123-64-46-28-11-29-47-64/h3-47,65-80,85-88H,48-55H2,1-2H3/t65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,85-,86-,87-,88?/m1/s1
Standard InChIKey: ZYFIKSFRCLQGCU-HNNKKJFRSA-N
SMILES: [N-]=[N+]=N[C@@H]1[C@@H](OCC2=CC=CC=C2)[C@H](OC(C(Cl)(Cl)Cl)=O)[C@@H](COCC3=CC=CC=C3)O[C@@H]1O[C@@H]4[C@H](C(OC)=O)O[C@@H](O[C@@H]([C@@H]([C@H]5N=[N+]=[N-])OCC6=CC=CC=C6)[C@@H](COCC7=CC=CC=C7)O[C@@H]5O[C@@H]8[C@H](C(OC)=O)OC(SC9=CC=CC=C9)[C@H](OC(C%10=CC=CC=C%10)=O)[C@H]8OCC%11=CC=CC=C%11)[C@H](OC(C%12=CC=CC=C%12)=O)[C@H]4OCC%13=CC=CC=C%13
Chemical Formula: C90H87Cl3N6O23S