disialosyl galactosyl globoside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 2
PubChem 126334
Molecular Formula

C36H59N3O27

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@H]([C@@H]([C@@H]([C@H](C=O)NC(=O)C)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)O

InChI

InChI=1S/C36H59N3O27/c1-11(44)37-14(6-40)28(25(54)19(51)10-61-35(33(57)58)4-15(47)21(38-12(2)45)29(64-35)23(52)17(49)7-41)63-32-27(56)31(26(55)20(9-43)62-32)66-36(34(59)60)5-16(48)22(39-13(3)46)30(65-36)24(53)18(50)8-42/h6,14-32,41-43,47-56H,4-5,7-10H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,57,58)(H,59,60)/t14-,15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-,35+,36-/m0/s1

synonyms
  • Disialosyl galactosyl globoside
  • Disialylgalactosylgloboside
  • Neuacalpha2-3Galbeta1-3(neuacalpha2-6)galnac
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Properties
Property Value
MW 965.9 g/mol
HBD 18
HBA 27
Rotatable Bond Count 23
Exact Mass 965.33359361 g/mol
Monoisotopic Mass 965.33359361 g/mol
Heavy Atom Count 66
Isotope Atom Count 0
Atom Stereo Count 21
Covalent Unit Count 1
Complexity 1670
xlogp -10
Topological Polar Surface Area 497