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

Systemtic Name: N-[(3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]ethanamide Openeye Name: N-[(3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide CAS Name: N-[(3S,4R,5S,6R)-5-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3S,4S,5R,6R)-4-[[(2R,3S,4S,5S,6R)-3-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name: N-[(3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide Traditional Name: N-[(3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl]acetamide Formula: C40H68N2O29 MolecularWeight: 1040.96392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1COC(C(C1O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6CC(C(C(O6)CO)O)O)O)O)NC(=O)C)CO

Isomeric SMILES

CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6C[C@H]([C@@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)CO

InChI

InChI=1S/C40H68N2O29/c1-11(48)41-13-9-61-18(7-46)33(23(13)51)69-37-22(42-12(2)49)28(56)34(19(8-47)66-37)70-39-32(60)35(27(55)20(67-39)10-62-38-31(59)29(57)25(53)16(5-44)64-38)71-40-36(30(58)26(54)17(6-45)65-40)68-21-3-14(50)24(52)15(4-43)63-21/h13-40,43-47,50-60H,3-10H2,1-2H3,(H,41,48)(H,42,49)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+,27+,28+,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+/m0/s1