(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4R,5S)-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-piperidin-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,6R)-2-(hydroxymethyl)-6-[(2R,3R,4R,5S)-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-piperidin-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-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(2R,3R,4R,5S)-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-piperidyl]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-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(2R,3R,4R,5S)-5-hydroxy-2-(hydroxymethyl)-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-piperidinyl]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-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5S)-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypiperidin-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-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(2R,3R,4R,5S)-5-hydroxy-2-methylol-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-piperidyl]oxy]-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C29H50N2O21 MolecularWeight: 762.7081

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(CNC(C2OC3C(C(C(C(O3)CO)O)OC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)CO)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](CN[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)O)O)O)O

InChI

InChI=1S/C29H50N2O21/c1-8-16(39)19(42)20(43)26(47-8)50-23-12(37)4-30-10(5-32)22(23)49-27-21(44)25(18(41)14(7-34)48-27)52-29(28(45)46)3-11(36)15(31-9(2)35)24(51-29)17(40)13(38)6-33/h8,10-27,30,32-34,36-44H,3-7H2,1-2H3,(H,31,35)(H,45,46)/t8-,10+,11-,12-,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,29-/m0/s1