(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-oxidanyl-5-(propanoylamino)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-oxidanyl-5-(propanoylamino)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxo-nonoxy)-5-(propanoylamino)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(2R,3S,4R,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-5-(1-oxopropylamino)-3-oxanyl]oxy]-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-5-(propanoylamino)oxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-4-hydroxy-6-(9-keto-9-methoxy-nonoxy)-2-methylol-5-propionamido-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C36H62N2O21 MolecularWeight: 858.87828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1C(C(C(OC1OCCCCCCCCC(=O)OC)CO)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O

Isomeric SMILES

CCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCCCC(=O)OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O

InChI

InChI=1S/C36H62N2O21/c1-4-22(45)38-25-28(49)30(21(16-41)56-33(25)54-12-10-8-6-5-7-9-11-23(46)53-3)57-34-29(50)32(27(48)20(15-40)55-34)59-36(35(51)52)13-18(43)24(37-17(2)42)31(58-36)26(47)19(44)14-39/h18-21,24-34,39-41,43-44,47-50H,4-16H2,1-3H3,(H,37,42)(H,38,45)(H,51,52)/t18-,19+,20+,21+,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+,34-,36-/m0/s1