| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1ccc(cc1)CCn2nnc(c2)CO)C3OC(C(O)C(O)C3O)CO |
| InChI | InChI | 1.03 | InChI=1S/C17H23N3O7/c21-8-11-7-20(19-18-11)6-5-10-1-3-12(4-2-10)26-17-16(25)15(24)14(23)13(9-22)27-17/h1-4,7,13-17,21-25H,5-6,8-9H2/t13-,14-,15+,16+,17+/m1/s1 |
| InChIKey | InChI | 1.03 | BCFCTVRYNLVCND-NRKLIOEPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](Oc2ccc(CCn3cc(CO)nn3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](Oc2ccc(CCn3cc(CO)nn3)cc2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CCn2cc(nn2)CO)OC3C(C(C(C(O3)CO)O)O)O |
