asialo GM1 ganglioside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 20
PubChem 6450363
Molecular Formula

C62H114N2O23

SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(COC1[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[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)O)NC(=O)C)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40?,41?,42-,43-,44-,45-,47-,48+,49+,50+,51-,52-,53-,54-,55-,56+,57-,58-,59+,60?,61+,62+/m1/s1

synonyms
  • Asialo GM1
  • Ganglio-N-tetraosylceramide
  • Asialo GM1 glycolipid
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Properties
Property Value
MW 1255.6 g/mol
HBD 15
HBA 23
Rotatable Bond Count 45
Exact Mass 1254.78123789 g/mol
Monoisotopic Mass 1254.78123789 g/mol
Heavy Atom Count 87
Isotope Atom Count 0
Atom Stereo Count 22
Covalent Unit Count 1
Complexity 1830
xlogp 6.5
Topological Polar Surface Area 395