Compound 12. Methyl [2-azido-3,6-di-O-benzyl-2-deoxy-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)-(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)-(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)-((S)-2,3-bis(benzyloxy)propyl 2-O-benzoyl-3-O-benzyl-α-L-idopyranoside)]uronate.
Molecular Weight: 3,279.45
Elemental Analysis: C, 66.29; H, 5.66; N, 5.13; O, 22.93
Standard InChI: InChI=1S/C181H184N12O47/c1-203-170(199)158-154(150(217-105-125-79-43-15-44-80-125)162(226-166(195)129-87-51-19-52-88-129)178(237-158)221-110-133(212-100-120-69-33-10-34-70-120)109-207-95-115-59-23-5-24-60-115)234-175-139(187-191-183)147(214-102-122-73-37-12-38-74-122)143(135(223-175)112-209-97-117-63-27-7-28-64-117)231-180-164(228-168(197)131-91-55-21-56-92-131)152(219-107-127-83-47-17-48-84-127)156(160(239-180)172(201)205-3)236-177-141(189-193-185)149(216-104-124-77-41-14-42-78-124)145(137(225-177)114-211-99-119-67-31-9-32-68-119)232-181-165(229-169(198)132-93-57-22-58-94-132)153(220-108-128-85-49-18-50-86-128)157(161(240-181)173(202)206-4)235-176-140(188-192-184)148(215-103-123-75-39-13-40-76-123)144(136(224-176)113-210-98-118-65-29-8-30-66-118)230-179-163(227-167(196)130-89-53-20-54-90-130)151(218-106-126-81-45-16-46-82-126)155(159(238-179)171(200)204-2)233-174-138(186-190-182)146(213-101-121-71-35-11-36-72-121)142(194)134(222-174)111-208-96-116-61-25-6-26-62-116/h5-94,133-165,174-181,194H,95-114H2,1-4H3/t133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150+,151+,152+,153+,154+,155+,156+,157+,158-,159-,160-,161-,162-,163-,164-,165-,174-,175-,176-,177-,178-,179-,180-,181-/m1/s1
Standard InChIKey: VPIXKXZJCAEASO-SDZAQFOJSA-N
SMILES: O[C@@H]([C@@H]([C@H]1N=[N+]=[N-])OCC2=CC=CC=C2)[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)O[C@@H](O[C@@H]([C@@H]([C@H]9N=[N+]=[N-])OCC%10=CC=CC=C%10)[C@@H](COCC%11=CC=CC=C%11)O[C@@H]9O[C@@H]%12[C@H](C(OC)=O)O[C@@H](O[C@@H]([C@@H]([C@H]%13N=[N+]=[N-])OCC%14=CC=CC=C%14)[C@@H](COCC%15=CC=CC=C%15)O[C@@H]%13O[C@@H]%16[C@H](C(OC)=O)O[C@@H](OC[C@H](OCC%17=CC=CC=C%17)COCC%18=CC=CC=C%18)[C@H](OC(C%19=CC=CC=C%19)=O)[C@H]%16OCC%20=CC=CC=C%20)[C@H](OC(C%21=CC=CC=C%21)=O)[C@H]%12OCC%22=CC=CC=C%22)[C@H](OC(C%23=CC=CC=C%23)=O)[C@H]8OCC%24=CC=CC=C%24)[C@H](OC(C%25=CC=CC=C%25)=O)[C@H]4OCC%26=CC=CC=C%26
Chemical Formula: C181H184N12O47