(2S,4S,5R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-2-carboxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxan-2-yl]-oxidanyl-methyl]-6-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]-oxidanyl-methyl]-4-oxidanyl-6-[1,2,3-tris(oxid

Systemtic Name: (2S,4S,5R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-2-carboxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxan-2-yl]-oxidanyl-methyl]-6-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]-oxidanyl-methyl]-4-oxidanyl-6-[1,2,3-tris(oxid Openeye Name: (2S,4S,5R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-yl]-hydroxy-methyl]-6-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]-hydroxy-me CAS Name: (2S,4S,5R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R,5R,6R)-3-acetamido-2-[[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanyl]-hydroxymethyl]-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2R,3S)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enoxy]-3-oxanyl]oxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]-hydroxymethyl]-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxane IUPAC Name: (2S,4S,5R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-hydroxymethyl]-6-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-hydroxymethyl]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxyl Traditional Name: (2S,4S,5R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-yl]-hydroxy-methyl]-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E,2R,3S)-3-hydroxy-2-palmitamido-octadec-4-enoxy]-2-methylol-tetrahydropyran-3-yl]oxy-5-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]-hydroxy-methyl]-4-hydroxy-6-(1,2,3-trihydr Formula: C84H148N4O39 MolecularWeight: 1838.07732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(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)C(C5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)C(C6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[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)C([C@@]5(C[C@@H]([C@H](C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)C([C@@]6(C[C@@H]([C@H](C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)[C@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C84H148N4O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(98)46(88-56(103)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-118-78-69(111)68(110)71(55(41-94)121-78)124-80-67(109)58(76(113)84(82(116)117)35-49(100)60(86-44(4)96)74(127-84)63(105)51(102)37-90)70(54(40-93)122-80)123-77-61(87-45(5)97)72(65(107)53(39-92)119-77)125-79-66(108)57(64(106)52(38-91)120-79)75(112)83(81(114)115)34-48(99)59(85-43(3)95)73(126-83)62(104)50(101)36-89/h30,32,46-55,57-80,89-94,98-102,104-113H,6-29,31,33-42H2,1-5H3,(H,85,95)(H,86,96)(H,87,97)(H,88,103)(H,114,115)(H,116,117)/b32-30+/t46-,47+,48+,49+,50?,51?,52-,53-,54-,55-,57+,58-,59-,60-,61-,62?,63?,64+,65+,66-,67-,68-,69-,70+,71-,72-,73?,74?,75?,76?,77+,78-,79+,80+,83+,84+/m1/s1