(2S,4S,5R,6R)-5-azanyl-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-azanyl-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-azanyl-3-oxidanyl-icos-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-3-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-azanyl-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-azanyl-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-azanyl-3-oxidanyl-icos-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-3-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-amino-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxy-icos-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3-hydroxy-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-amino-2-[[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyeicos-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-5-[[(2S,3R,4R,5R,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyicos-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-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-amino-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxy-eicos-4-enoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-amino-5-hydroxy-6-methylol-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C53H97N3O28 MolecularWeight: 1224.34058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)N)OC5(CC(C(C(O5)C(C(CO)O)O)N)O)C(=O)O)O)O)O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)N)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)N)O)C(=O)O)O)O)O)N)O

InChI

InChI=1S/C53H97N3O28/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(62)25(54)24-75-49-41(71)39(69)43(31(22-60)78-49)80-51-42(72)47(84-53(52(73)74)18-27(63)33(55)46(83-53)35(65)28(64)19-57)44(32(23-61)79-51)81-48-34(56)45(37(67)30(21-59)76-48)82-50-40(70)38(68)36(66)29(20-58)77-50/h16-17,25-51,57-72H,2-15,18-24,54-56H2,1H3,(H,73,74)/b17-16+/t25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,53-/m0/s1