(2R,4S,5R,6R)-5-acetamido-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxypropoxy]-4-oxidanyl-6-[(1R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-5-acetamido-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxypropoxy]-4-oxidanyl-6-[(1R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]propoxy]-6-[(1R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[3-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxypropoxy]-6-[(1R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxypropoxy]-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[3-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]propoxy]-6-[(1R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C26H45NO15 MolecularWeight: 611.6332

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCCCC2OCCCOC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2OCCCO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H](C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O

InChI

InChI=1S/C26H45NO15/c1-12-19(32)21(34)22(35)24(40-12)41-17-7-4-3-6-16(17)38-8-5-9-39-26(25(36)37)10-14(30)18(27-13(2)29)23(42-26)20(33)15(31)11-28/h12,14-24,28,30-35H,3-11H2,1-2H3,(H,27,29)(H,36,37)/t12-,14-,15?,16+,17+,18+,19+,20+,21+,22-,23+,24-,26+/m0/s1