(2R,3R,4R,5S,6R)-5-acetamido-4-acetyloxy-2-oxidanyl-3-[2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxy-oxan-3-yl]oxy-oxan-2-yl]methylsulfanyl]ethylsulfanyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylic acid

Systemtic Name: (2R,3R,4R,5S,6R)-5-acetamido-4-acetyloxy-2-oxidanyl-3-[2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxy-oxan-3-yl]oxy-oxan-2-yl]methylsulfanyl]ethylsulfanyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylic acid Openeye Name: (2R,3R,4R,5S,6R)-5-acetamido-4-acetoxy-2-hydroxy-3-[2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methylsulfanyl]ethylsulfanyl]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,3R,4R,5S,6R)-5-acetamido-4-acetyloxy-2-hydroxy-3-[2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxy-3-oxanyl]oxy]-2-oxanyl]methylthio]ethylthio]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,3R,4R,5S,6R)-5-acetamido-4-acetyloxy-2-hydroxy-3-[2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxyoxan-3-yl]oxyoxan-2-yl]methylsulfanyl]ethylsulfanyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,3R,4R,5S,6R)-5-acetamido-4-acetoxy-2-hydroxy-3-[2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2R,3S,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methylthio]ethylthio]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid Formula: C46H65NO29S2 MolecularWeight: 1160.1276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)O)O)SCCSCC2C(C(C(C(O2)OC3C(OC(C(C3OC(=O)C)OC(=O)C)OC)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)O)O)SCCSC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C46H65NO29S2/c1-18(48)47-32-36(33(66-22(5)52)29(65-21(4)51)15-63-19(2)49)76-46(61,45(59)60)42(37(32)68-24(7)54)78-14-13-77-17-31-35(67-23(6)53)39(70-26(9)56)41(72-28(11)58)44(74-31)75-34-30(16-64-20(3)50)73-43(62-12)40(71-27(10)57)38(34)69-25(8)55/h29-44,61H,13-17H2,1-12H3,(H,47,48)(H,59,60)/t29-,30-,31-,32+,33-,34+,35+,36-,37-,38+,39+,40-,41-,42-,43-,44+,46+/m1/s1