4-O-[4-O-(alpha-D-Glucopyranosyl)-beta-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-1,5,6-trideoxy-D-chiro-inositol

化合物标识与属性

CAS

12650-71-4

PubChem CID

169447742

SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1NC2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO

Canonical SMILES

OCC1=CC(N[C@H]2C[C@H](CO)[C@@H](OC3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O