(2S,3S,4R,5R,6S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)-6-[3-oxidanyl-2-[[(2S)-2-oxidanylheptadecanoyl]amino]octadecoxy]oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R,6S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)-6-[3-oxidanyl-2-[[(2S)-2-oxidanylheptadecanoyl]amino]octadecoxy]oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R,6S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[3-hydroxy-2-[[(2S)-2-hydroxyheptadecanoyl]amino]octadecoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R,6S)-3-[[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-4,5-dihydroxy-6-[3-hydroxy-2-[[(2S)-2-hydroxy-1-oxoheptadecyl]amino]octadecoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R,6S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[3-hydroxy-2-[[(2S)-2-hydroxyheptadecanoyl]amino]octadecoxy]oxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R,6S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-methylol-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-[3-hydroxy-2-[[(2S)-2-hydroxyheptadecanoyl]amino]octadecoxy]tetrahydropyran-2-carboxylic acid Formula: C59H109NO25 MolecularWeight: 1232.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O)NC(=O)C(CCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC[C@@H](C(=O)NC(CO[C@@H]1[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[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O)O)O)O)O)O)C(CCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C59H109NO25/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(63)35(60-54(75)37(64)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-78-57-50(74)46(70)52(53(85-57)55(76)77)84-59-48(72)44(68)42(66)40(82-59)34-79-56-49(73)45(69)51(39(32-62)81-56)83-58-47(71)43(67)41(65)38(31-61)80-58/h35-53,56-59,61-74H,3-34H2,1-2H3,(H,60,75)(H,76,77)/t35?,36?,37-,38-,39-,40+,41-,42+,43+,44-,45-,46+,47-,48+,49-,50+,51-,52-,53-,56+,57-,58-,59+/m0/s1