(2R,4S,5R,6R)-5-acetamido-2-[3-[[(2R,3S,4R,5R,6R)-5-acetamido-6-hexoxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxymethoxy]propoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-5-acetamido-2-[3-[[(2R,3S,4R,5R,6R)-5-acetamido-6-hexoxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxymethoxy]propoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-5-acetamido-2-[3-[[(2R,3S,4R,5R,6R)-5-acetamido-6-hexoxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxymethoxy]propoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-5-acetamido-2-[3-[[(2R,3S,4R,5R,6R)-5-acetamido-6-hexoxy-2-(hydroxymethyl)-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxymethoxy]propoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-[3-[[(2R,3S,4R,5R,6R)-5-acetamido-6-hexoxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxymethoxy]propoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-5-acetamido-2-[3-[[(2R,3S,4R,5R,6R)-5-acetamido-6-hexoxy-2-methylol-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxymethoxy]propoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C35H62N2O20 MolecularWeight: 830.86818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1C(C(C(C(O1)CO)OCOCCCOC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)C)O)C(=O)O)OC3C(C(C(C(O3)C)O)O)O)NC(=O)C

Isomeric SMILES

CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCOCCCO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)NC(=O)C

InChI

InChI=1S/C35H62N2O20/c1-5-6-7-8-11-51-32-24(37-19(4)41)31(56-33-28(47)27(46)25(44)17(2)54-33)29(22(15-39)55-32)52-16-50-10-9-12-53-35(34(48)49)13-20(42)23(36-18(3)40)30(57-35)26(45)21(43)14-38/h17,20-33,38-39,42-47H,5-16H2,1-4H3,(H,36,40)(H,37,41)(H,48,49)/t17-,20-,21+,22+,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,35+/m0/s1