N-[(E,2S,3R)-1-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide

Systemtic Name: N-[(E,2S,3R)-1-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]octadecanamide CAS Name: N-[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]octadec-4-en-2-yl]octadecanamide IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoctadec-4-en-2-yl]octadecanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4R,5R,6R)-3-hydroxy-6-methylol-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]stearamide Formula: C54H101NO17 MolecularWeight: 1036.37624

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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)O)O)OC3C(C(C(C(O3)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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)O)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C54H101NO17/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-42(59)55-38(39(58)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)36-67-52-49(66)51(72-53-47(64)45(62)43(60)37(3)68-53)50(41(35-57)70-52)71-54-48(65)46(63)44(61)40(34-56)69-54/h30,32,37-41,43-54,56-58,60-66H,4-29,31,33-36H2,1-3H3,(H,55,59)/b32-30+/t37-,38-,39+,40+,41+,43+,44+,45+,46-,47-,48-,49+,50+,51+,52+,53-,54-/m0/s1