G(M3) Ganglioside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 64
Total Number of Articles : 67
PubChem 86583360
Molecular Formula

C65H118N2O21

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([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[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O

InChI

InChI=1S/C65H118N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(75)67-46(47(72)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-83-62-57(79)56(78)59(51(43-70)85-62)86-63-58(80)61(55(77)50(42-69)84-63)88-65(64(81)82)40-48(73)53(66-45(3)71)60(87-65)54(76)49(74)41-68/h18-19,36,38,46-51,53-63,68-70,72-74,76-80H,4-17,20-35,37,39-44H2,1-3H3,(H,66,71)(H,67,75)(H,81,82)/b19-18-,38-36+/t46-,47+,48-,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62+,63-,65-/m0/s1

synonyms
  • G(M3) Ganglioside
  • hematoside
  • monosialoganglioside GM3
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Properties
Property Value
MW 1263.6 g/mol
HBD 14
HBA 21
Rotatable Bond Count 50
Exact Mass 1262.82270878 g/mol
Monoisotopic Mass 1262.82270878 g/mol
Heavy Atom Count 88
Isotope Atom Count 0
Atom Stereo Count 18
Covalent Unit Count 1
Complexity 1890
xlogp 10.1
Topological Polar Surface Area 373