methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(acetyloxymethyl)-6-chloranyl-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(acetyloxymethyl)-6-chloranyl-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(acetoxymethyl)-6-chloro-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R)-5-acetamido-2-(acetyloxymethyl)-6-chloro-4-[[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-3,5-diacetyloxy-6-(acetyloxymethyl)-4-oxanyl]oxy]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(acetyloxymethyl)-6-chloro-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(acetoxymethyl)-6-chloro-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C54H75ClN2O33 MolecularWeight: 1315.6199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC4(CC(C(C(O4)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C)COC(=O)C)Cl)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)Cl)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C54H75ClN2O33/c1-20-40(79-28(9)65)46(82-31(12)68)48(83-32(13)69)51(76-20)88-44-39(57-22(3)59)50(55)85-36(18-74-24(5)61)41(44)87-52-49(84-33(14)70)47(43(81-30(11)67)37(86-52)19-75-25(6)62)90-54(53(71)72-15)16-34(77-26(7)63)38(56-21(2)58)45(89-54)42(80-29(10)66)35(78-27(8)64)17-73-23(4)60/h20,34-52H,16-19H2,1-15H3,(H,56,58)(H,57,59)/t20-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50?,51-,52-,54-/m0/s1