Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c4C(=O)C5c1c(cc(c(OC)c1)OC)OCC5Oc4c2CC(C(\C)=C)Oc2c3 |
InChI | InChI | 1.03 | InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 |
InChIKey | InChI | 1.03 | JUVIOZPCNVVQFO-HBGVWJBISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |
SMILES | CACTVS | 3.385 | COc1cc2OC[CH]3Oc4c5C[CH](Oc5ccc4C(=O)[CH]3c2cc1OC)C(C)=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=C)C1Cc2c(ccc3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)O1 |