aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11181 | -1.28 | 89.09 | C3H7O2N | CNC(=O)CO |
|
AD11182 | 5.84 | 307.53 | C19H37N3 | CCCCCCCCCCCCCCCCc1cn(C)nn1 |
|
AD11183 | 3.07 | 485.55 | C24H21O2N8S | O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C=S |
|
AD11184 | 3.52 | 388.23 | C15H8O2N4SBr | O=c1oc2ccc(Br)cc2cc1CSC1=Nc2cncnc2[N]1 |
|
AD11185 | 1.36 | 611.6 | C31H33O12N | CC(=O)OC1C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C(OC(C)=O)C1N(C)C |
|
AD11186 | 4.24 | 264.94 | C10H4NCl2Br | Clc1cc2cc(Br)[nH]c2cc1Cl |
|
AD11187 | 2.09 | 660.89 | C34H64O10N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCC(=O)NC)C(C)C(O)C1C |
|
AD11188 | 1.88 | 740.94 | C37H64O11N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCC(=O)Nc2ccncn2)C(C)C(O)C1(C)O |
|
AD11189 | 3.25 | 802.06 | C44H71O10N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Cc2ccc3ccccc3c2)C(C)C(O)C1(C)O |
|
AD11190 | -0.88 | 126.1 | C4H4O2N3 | COC(=O)C1=N[N]C=N1 |