N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-6-octoxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Systemtic Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-6-octoxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide Openeye Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,5-dihydroxy-6-octoxy-tetrahydropyran-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide CAS Name: N-[(2S,3R,4R,5S,6R)-2-[[(2R,3S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5S,6R)-3-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-3,5-dihydroxy-6-octoxy-4-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-octoxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide Traditional Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-3,5-dihydroxy-6-octoxy-tetrahydropyran-4-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide Formula: C42H74N2O25 MolecularWeight: 1007.03536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O)OC4C(CC(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O

Isomeric SMILES

CCCCCCCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O[C@@H]4[C@H](C[C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O

InChI

InChI=1S/C42H74N2O25/c1-4-5-6-7-8-9-10-60-41-35(59)36(68-38-20(11-19(51)21(12-45)63-38)62-39-26(43-17(2)49)32(56)28(52)22(13-46)64-39)31(55)25(67-41)16-61-42-37(34(58)30(54)24(15-48)66-42)69-40-27(44-18(3)50)33(57)29(53)23(14-47)65-40/h19-42,45-48,51-59H,4-16H2,1-3H3,(H,43,49)(H,44,50)/t19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1