| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(CCN4CCN(CCCN3c1ccccc1C=Cc2ccccc23)CC4)C5OC(C(O)C(O)C5O)CO |
| InChI | InChI | 1.03 | InChI=1S/C29H39N3O6/c33-20-25-26(34)27(35)28(36)29(38-25)37-19-18-31-16-14-30(15-17-31)12-5-13-32-23-8-3-1-6-21(23)10-11-22-7-2-4-9-24(22)32/h1-4,6-11,25-29,33-36H,5,12-20H2/t25-,26-,27+,28-,29-/m1/s1 |
| InChIKey | InChI | 1.03 | GVUGRCGKZRTSLY-XYPQWYOHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@H](OCCN2CCN(CCCN3c4ccccc4C=Cc5ccccc35)CC2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](OCCN2CCN(CCCN3c4ccccc4C=Cc5ccccc35)CC2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCOC5C(C(C(C(O5)CO)O)O)O |
