Methyl 3-O-[(N-acetyl-2-deoxy-alpha-neuraminic acid-2-yl)-beta-D-galactopyranosyl]-6-O-[3-O-(alpha-D-fucopyranosyl)-4-O-[3-O-(N-acetyl-2-deoxy-alpha-neuraminic acid-2-yl)-beta-D-galactopyranosyl]-6-O-(sodiooxysulfonyl)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-alpha-D-galactopyranoside

化合物标识与属性

PubChem CID

102249908

SMILES

C[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H](O[C@@H](C2NC(=O)C)OC[C@@H]3[C@H]([C@H]([C@H]([C@H](O3)OC)NC(=O)C)O[C@@]4(C[C@@H](C([C@H](O4)[C@@H]([C@H](CO)O)O)NC(=O)C)O)C(=O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O)O)COS(=O)(=O)O)O[C@@H]6[C@@H](C([C@@H]([C@@H](O6)CO)O)O[C@@]7(C[C@@H]([C@H]([C@H](O7)[C@H]([C@H](CO)O)O)N=C(C)[O-])O)C(=O)O)O)O)O)O.[Na+]

Canonical SMILES

CO[C@H]1O[C@H](CO[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)C(O[C@]4(C(=O)O)C[C@H](O)[C@@H](N=C(C)[O-])[C@@H]([C@@H](O)[C@@H](O)CO)O4)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@H]3O)C2NC(C)=O)[C@@H](O)[C@@H](O[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H](O)C(NC(C)=O)[C@@H]([C@H](O)[C@@H](O)CO)O2)[C@H]1NC(C)=O.[Na+]