| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(O)C15OC16c4cc(O)c3C(=O)c2ccc(OC)c(O)c2C(=O)c3c4NC5C#CC=CC#CC6O |
| InChI | InChI | 1.03 | InChI=1S/C27H19NO8/c1-12(29)26-17-7-5-3-4-6-8-18(31)27(26,36-26)14-11-15(30)20-21(22(14)28-17)25(34)19-13(23(20)32)9-10-16(35-2)24(19)33/h3-4,9-12,17-18,28-31,33H,1-2H3/b4-3-/t12-,17+,18-,26+,27+/m1/s1 |
| InChIKey | InChI | 1.03 | DJOMZYYFFHCVSQ-UBZKRVARSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C(=O)c3c(O)cc4c(N[C@H]5C#C\C=C/C#C[C@@H](O)[C@@]46O[C@@]56[C@@H](C)O)c3C(=O)c2c1O |
| SMILES | CACTVS | 3.385 | COc1ccc2C(=O)c3c(O)cc4c(N[CH]5C#CC=CC#C[CH](O)[C]46O[C]56[CH](C)O)c3C(=O)c2c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C12C3C#CC=CC#CC(C1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O |
