aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15331 | 5.47 | 467.5 | C26H30O5NP | CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(OP(=O)(O)O)cc1)c1ccccc1 |
|
AD15332 | 3.65 | 290.71 | C15H11O3N2Cl | O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O)c(Cl)c1 |
|
AD15333 | -0.18 | 243.04 | C6H5ON5Br | Cn1c(=O)[nH]c2c(c1=N)N=C(Br)[N]2 |
|
AD15334 | 3.36 | 336.8 | C16H13O3N2ClS | CS(=O)(=O)Nc1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1 |
|
AD15335 | 1.85 | 150.21 | C7H6N2S | Sc1nc2ccccc2[nH]1 |
|
AD15336 | -2.15 | 266.96 | CH4O9NP3 | COP(=O)([O-])OP(=N)([O-])OP(=O)([O-])[O-] |
|
AD15337 | 5.4 | 326.24 | C18H16NBr | Brc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12 |
|
AD15338 | 9.42 | 903.09 | C48H66O11N6 | CN(CCO)[N+]([O-])=NOc1cc(NC(Cc2ccccc2)C(=O)OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] |
|
AD15339 | -8.92 | 2201.47 | C92H133O32N23S4 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(CNC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CCS)C(C)O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CCS)C(C)O)CC2 |
|
AD15340 | -0.23 | 223.21 | C9H11O3N4 | COCCOCn1cnc2c(c1=O)N=C[N]2 |