aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13601 | 0.68 | 315.32 | C14H21O7N | O=C(OC1CCCCC1O)N1CCC(C(=O)O)(C(=O)O)CC1 |
|
AD13602 | 2.35 | 142.58 | C8H7OCl | COc1ccccc1Cl |
|
AD13603 | -0.13 | 159.23 | C8H17O2N | CCC1CCC(O)C(CO)N1 |
|
AD13604 | -0.27 | 250.19 | C9H8O4N5 | O=C(O)CC(Nc1ncnc2c1N=C[N]2)C(=O)O |
|
AD13605 | 2.78 | 1177.52 | C60H108O20N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC4(C)OC)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD13606 | 4.63 | 1269.07 | C64H55O17N9Cl2 | CCNCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD13607 | 0.88 | 168.15 | C8H8O4 | COC(=O)c1cc(O)cc(O)c1 |
|
AD13608 | 2.57 | 833.12 | C39H68O11N4S2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccsc2C(=O)OC)C(C)C(O)C1(C)O |
|
AD13609 | 6.79 | 1387.8 | C74H122O20N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCc5ccccc5)C(C)CC4(C)OC)C3O)C2O)C(C)(OC)CC(C)C(=NOCc2ccccc2)C(C)C(O)C1(C)O |
|
AD13610 | 4.17 | 715.03 | C39H74O9N2 | CCCCCC=CCCCNC1C(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C |