(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6S)-6-octoxycarbonyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6S)-6-octoxycarbonyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-octoxycarbonyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3-[[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[octoxy(oxo)methyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-octoxycarbonyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-methylol-4-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-octoxycarbonyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid Formula: C36H60N2O23 MolecularWeight: 888.8612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1C(C(C(C(O1)OC2C(C(OC(C2O)CO)OC3C(C(C(OC3C(=O)O)OC4C(C(OC(C4O)CO)O)NC(=O)C)O)O)NC(=O)C)O)O)O

Isomeric SMILES

CCCCCCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InChI

InChI=1S/C36H60N2O23/c1-4-5-6-7-8-9-10-54-33(53)29-22(46)21(45)24(48)35(60-29)58-27-18(38-14(3)42)34(56-16(12-40)20(27)44)59-28-23(47)25(49)36(61-30(28)31(50)51)57-26-17(37-13(2)41)32(52)55-15(11-39)19(26)43/h15-30,32,34-36,39-40,43-49,52H,4-12H2,1-3H3,(H,37,41)(H,38,42)(H,50,51)/t15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25-,26-,27-,28+,29+,30+,32-,34+,35-,36-/m1/s1