(2R,3R,4R,5S,6R)-5-acetamido-4-acetyloxy-2-oxidanyl-3-[4-[[(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]butylsulfanyl]-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-[4-[[(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]butylsulfanyl]-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-[4-[[(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]butylsulfanyl]-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-[4-[[(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]butylthio]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,3R,4R,5S,6R)-5-acetamido-4-acetyloxy-2-hydroxy-3-[4-[[(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]butylsulfanyl]-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-[4-[[(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]butylthio]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid Formula: C48H69NO29S2 MolecularWeight: 1188.18076

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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)SCCCCSCC2C(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)SCCCCSC[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/C48H69NO29S2/c1-20(50)49-34-38(35(68-24(5)54)31(67-23(4)53)17-65-21(2)51)78-48(63,47(61)62)44(39(34)70-26(7)56)80-16-14-13-15-79-19-33-37(69-25(6)55)41(72-28(9)58)43(74-30(11)60)46(76-33)77-36-32(18-66-22(3)52)75-45(64-12)42(73-29(10)59)40(36)71-27(8)57/h31-46,63H,13-19H2,1-12H3,(H,49,50)(H,61,62)/t31-,32-,33-,34+,35-,36+,37+,38-,39-,40+,41+,42-,43-,44-,45-,46+,48+/m1/s1