(2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-3-azanyl-6-[[(2S,3S,4R,5S,6S)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)-6-[(Z)-3-oxidanyl-2-[[(2S)-2-oxidanyltetradecanoyl]amino]icos-13-enoxy]oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-3-azanyl-6-[[(2S,3S,4R,5S,6S)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)-6-[(Z)-3-oxidanyl-2-[[(2S)-2-oxidanyltetradecanoyl]amino]icos-13-enoxy]oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[(Z)-3-hydroxy-2-[[(2S)-2-hydroxytetradecanoyl]amino]icos-13-enoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R)-3-[[(2R,3R,4R,5S,6R)-3-amino-6-[[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-4,5-dihydroxy-2-oxanyl]oxy]-4,5-dihydroxy-6-[(Z)-3-hydroxy-2-[[(2S)-2-hydroxy-1-oxotetradecyl]amino]eicos-13-enoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(Z)-3-hydroxy-2-[[(2S)-2-hydroxytetradecanoyl]amino]icos-13-enoxy]oxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[(Z)-3-hydroxy-2-[[(2S)-2-hydroxytetradecanoyl]amino]eicos-13-enoxy]tetrahydropyran-2-carboxylic acid Formula: C58H106N2O24 MolecularWeight: 1215.46124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N)O)O)C(CCCCCCCCCC=CCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC[C@@H](C(=O)NC(COC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O)N)O)O)C(CCCCCCCCC/C=C\CCCCCC)O)O

InChI

InChI=1S/C58H106N2O24/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-35(63)34(60-53(74)36(64)29-27-25-23-20-14-12-10-8-6-4-2)32-77-56-49(73)47(71)50(52(84-56)54(75)76)82-55-40(59)44(68)43(67)39(81-55)33-78-58-51(46(70)42(66)38(31-62)80-58)83-57-48(72)45(69)41(65)37(30-61)79-57/h13,15,34-52,55-58,61-73H,3-12,14,16-33,59H2,1-2H3,(H,60,74)(H,75,76)/b15-13-/t34?,35?,36-,37-,38-,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,55+,56?,57-,58-/m0/s1