N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(1R,2R,3S,4S,5R)-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxy-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octoxy-oxan-3-yl]ethanamide

Systemtic Name: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(1R,2R,3S,4S,5R)-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxy-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octoxy-oxan-3-yl]ethanamide Openeye Name: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-octoxy-5-[(1R,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide CAS Name: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-octoxy-5-[(1R,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]acetamide IUPAC Name: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-octoxy-5-[(1R,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide Traditional Name: N-[(2R,3R,4R,5S,6R)-6-methylol-2-octoxy-5-[(1R,2R,3S,4S,5R)-2,3,4-trihydroxy-5-methylol-cyclohexoxy]-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide Formula: C29H53NO14 MolecularWeight: 639.72942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)CO)OC2CC(C(C(C2O)O)O)CO)OC3C(C(C(C(O3)C)O)O)O)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H53NO14/c1-4-5-6-7-8-9-10-40-28-19(30-15(3)33)27(44-29-25(39)23(37)20(34)14(2)41-29)26(18(13-32)43-28)42-17-11-16(12-31)21(35)24(38)22(17)36/h14,16-29,31-32,34-39H,4-13H2,1-3H3,(H,30,33)/t14-,16+,17+,18+,19+,20+,21-,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1