Sialosylparagloboside

(2S,4R,5S,6S)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(Z)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Also Known As: Sialosylparagloboside|Sialyl paragloboside|Paragloboside, O-(N-acetyl-alpha-neuraminosyl)-(2-3D)-|Neunac(alpha,2-73)gal(beta,1-74)glcnac(beta,1-73)gal(beta,1-74)glc-cer|(2S,4R,5S,6S)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(Z)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid|Ceramide, 1-O-(O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)-|NeuNAc(alpha,2--73)Gal(beta,1--74)GlcNAc(beta,1--73)Gal(beta,1--74)Glc-Cer

Molecular Formula	C73H131N3O31
Molecular Weight	1545.8767 g/mol
LogP	-1.0424
Topological Polar Surface Area	540.58 Ų
Hydrogen Bond Donors	20
Hydrogen Bond Acceptors	30
Rotatable Bonds	52
Exact Mass	1545.8767
Monoisotopic Mass	1545.8767
Heavy Atoms	107
Complexity	2502.4219

Chemical Identifiers

CAS Number	71833-57-3
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@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)O[C@@]5(C[C@H]([C@@H]([C@H](O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)O)C(/C=C\CCCCCCCCCCCCC)O