5-acetamido-6-[3-[3-[3-acetamido-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-oxan-4-yl]oxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-6-[3-[3-[3-acetamido-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-oxan-4-yl]oxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: 5-acetamido-6-[3-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]tetrahydropyran-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-1,2-dihydroxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-6-[3-[[5-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(1-oxooctadecylamino)octadec-4-enoxy]-3-oxanyl]oxy]-3-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1,2-dihydroxypropyl]-2,4-dihydroxy-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-6-[3-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid Traditional Name: 5-acetamido-6-[3-[5-[3-acetamido-5-hydroxy-6-methylol-4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-2-[4,5-dihydroxy-6-[(E)-3-hydroxy-2-stearamido-octadec-4-enoxy]-2-methylol-tetrahydropyran-3-yl]oxy-3-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-1,2-dihydroxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid Formula: C73H131N3O31 MolecularWeight: 1546.82274

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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)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OCC(C(C5C(C(CC(O5)(C(=O)O)O)O)NC(=O)C)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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)O)O)NC(=O)C)OCC(C(C5C(C(CC(O5)(C(=O)O)O)O)NC(=O)C)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(86)76-44(45(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-99-69-61(93)59(91)63(50(38-79)102-69)104-71-62(94)67(98-41-47(85)55(87)66-53(74-42(3)81)46(84)35-73(97,107-66)72(95)96)64(51(39-80)103-71)105-68-54(75-43(4)82)65(57(89)49(37-78)100-68)106-70-60(92)58(90)56(88)48(36-77)101-70/h31,33,44-51,53-71,77-80,83-85,87-94,97H,5-30,32,34-41H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,95,96)/b33-31+