Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2=COc3cc(ccc3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
InChIKey | InChI | 1.03 | KYQZWONCHDNPDP-QNDFHXLGSA-N |