Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 |
InChIKey | InChI | 1.03 | ODBRNZZJSYPIDI-VJXVFPJBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)c(O)c4 |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)c(O)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)C4C(C(C(C(O4)CO)O)O)O)O)O2)O)O |