Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c3cc(ccc3sc1C2OC(CO)C(O)C(O)C2O)C |
InChI | InChI | 1.03 | InChI=1S/C14H17NO5S/c1-6-2-3-9-7(4-6)15-14(21-9)13-12(19)11(18)10(17)8(5-16)20-13/h2-4,8,10-13,16-19H,5H2,1H3/t8-,10-,11+,12-,13-/m1/s1 |
InChIKey | InChI | 1.03 | WGJFWQVWYRZPEP-KABOQKQYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc2sc(nc2c1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O |
SMILES | CACTVS | 3.370 | Cc1ccc2sc(nc2c1)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)nc(s2)C3C(C(C(C(O3)CO)O)O)O |