(2R,4S,5R,6R)-2-[3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-6-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-oxan-2-yl]-2-(hydroxymethyl)-3-oxidanyl-propoxy]-6-[3-acetyloxy-1,2-bis(oxidanyl)propyl]-4-oxidanyl-5-(2-oxidanylethanoylamino)oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-2-[3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-6-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-oxan-2-yl]-2-(hydroxymethyl)-3-oxidanyl-propoxy]-6-[3-acetyloxy-1,2-bis(oxidanyl)propyl]-4-oxidanyl-5-(2-oxidanylethanoylamino)oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-2-[3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-tetrahydropyran-2-yl]-3-hydroxy-2-(hydroxymethyl)propoxy]-6-(3-acetoxy-1,2-dihydroxy-propyl)-4-hydroxy-5-[(2-hydroxyacetyl)amino]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-2-[3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-6-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(1-oxooctadecylamino)octadec-4-enoxy]-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-2-oxanyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-6-(3-acetyloxy-1,2-dihydroxypropyl)-4-hydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-2-[3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxan-2-yl]-3-hydroxy-2-(hydroxymethyl)propoxy]-6-(3-acetyloxy-1,2-dihydroxypropyl)-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-2-[3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-3-hydroxy-2-stearamido-octadec-4-enoxy]-2-methylol-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-tetrahydropyran-2-yl]-3-hydroxy-2-methylol-propoxy]-6-(3-acetoxy-1,2-dihydroxy-propyl)-5-(glycoloylamino)-4-hydroxy-tetrahydropyran-2-carboxylic acid Formula: C73H129N3O31 MolecularWeight: 1544.80686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)COC4(CC(C(C(O4)C(C(COC(=O)C)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(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)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)C(C(CO)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)C(C(COC(=O)C)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C73H129N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(87)75-47(48(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-100-68-62(93)61(92)64(53(39-79)103-68)104-69-63(94)67(60(91)52(38-78)102-69)107-73(71(97)98)36-50(85)56(74-44(3)81)65(106-73)58(89)46(37-77)41-101-72(70(95)96)35-49(84)57(76-55(88)40-80)66(105-72)59(90)51(86)43-99-45(4)82/h31,33,46-53,56-69,77-80,83-86,89-94H,5-30,32,34-43H2,1-4H3,(H,74,81)(H,75,87)(H,76,88)(H,95,96)(H,97,98)/b33-31+/t46?,47?,48?,49-,50-,51?,52+,53+,56+,57+,58?,59?,60-,61+,62+,63+,64+,65+,66+,67-,68+,69-,72+,73-/m0/s1