Siagoside

Molecular Formula: C₇₃H₁₂₉N₃O₃₀

InChI: InChI=1/C73H129N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-96-69-61(94)59(92)62(50(39-80)99-69)101-71-67-66(106-73(72(95)104-67)35-46(85)53(74-42(3)82)65(105-73)55(88)47(86)36-77)63(51(40-81)100-71)102-68-54(75-43(4)83)64(57(90)49(38-79)97-68)103-70-60(93)58(91)56(89)48(37-78)98-70/h31,33,44-51,53-71,77-81,84-86,88-94H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)/b33-31+/t44-,45-,46+,47-,48+,49+,50+,51+,53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63-,64+,65?,66-,67+,68-,69+,70-,71-,73-/m0/s1/f/h74-76H

InChIKey: InChIKey=WVHBJHLTCHODOA-CQMNNCLGDW
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C3C(C(C(O2)CO)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)NC(=O)C)OC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O3)O)O)C(C=CCCCCCCCCCCCCC)O

Names:
    Ganglioside agf2
    Ganglioside GM1, intramol. 1(B1),2(B)-ester
    N-(ll(sup 3)-N-Acetylneuraminosylgangliotetraosyl)ceramide, intramolecular ester
    N-[(E,2S,3S)-1-[(2R,3R,4R,5S,6R)-5-[(1S,2S,3R,4'R,5R,5'S,6R,9S)-5'-acetamido-2-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-4'-hydroxy-3-(hydroxymethyl)-8-oxo-6'-[(1S,2S)-1,2,3-trihydroxypropyl]spiro[4,7,10-trioxabicyclo[4.4.0]decane-9,2'-oxane]-5-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-octadec-4-en-2-yl]octadecanamide
    Octadecanamide, N-((1S,3R,3E)-1-(((O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-, intramol, 1''',2''-ester
    Siagoside [INN]
    Siagoside
    Siagosido [INN-Spanish]
    Siagosidum [INN-Latin]
    100345-64-0

Registries:
    PubChem CID 6436151
    PubChem ID 214054