Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1(CC(CC(C1)C)C)C(=O)CC(c2cc3c(cc2)OCO3)c4c(OC)cc(cc4O)OC |
InChI | InChI | 1.03 | InChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3/t15-,16+,19-/m0/s1 |
InChIKey | InChI | 1.03 | YEKVAIMYYCZDLI-FCEWJHQRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)c([C@@H](CC(=O)N2C[C@H](C)C[C@H](C)C2)c3ccc4OCOc4c3)c(OC)c1 |
SMILES | CACTVS | 3.385 | COc1cc(O)c([CH](CC(=O)N2C[CH](C)C[CH](C)C2)c3ccc4OCOc4c3)c(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1CC(CN(C1)C(=O)CC(c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C |