Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 |
InChIKey | InChI | 1.03 | PUETUDUXMCLALY-HOTGVXAUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O |
SMILES | CACTVS | 3.385 | COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)CC(CO)C(Cc2ccc(c(c2)OC)O)CO |