aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05601 | -2.78 | 771.66 | C24H35O14N7P2S2 | Cc1cn(C2OC3(COP(O)(O)=S)CN(C)OC2C3OP(O)(=S)OCC23CN(C)OC(C(n4cc(C)c(=O)[nH]c4=O)O2)C3O)c(=O)nc1N |
|
AD05602 | -0.47 | 1726.45 | C51H73O30N13P6S6 | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(N)nc2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(N)nc2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(N)nc2=O)OC1COP(O)(O)=S |
|
AD05603 | -0.49 | 402.2 | C6H17O10N2P3S | NC(CCSCCP(=O)(O)OP(=O)(O)NP(=O)(O)O)C(=O)O |
|
AD05604 | 3.54 | 1341.18 | C67H63O17N11Cl2 | NCCNCCCNCCNC(=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 |
|
AD05605 | 5.78 | 394.88 | C22H15O2N2ClS | CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1 |
|
AD05606 | 2.4 | 301.13 | C13H10O2N4Cl2 | O=C(O)NCc1cn(Cc2c(Cl)cccc2Cl)nn1 |
|
AD05607 | -0.05 | 734.16 | C12H24O22N2P6 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O |
|
AD05608 | 1.23 | 250.23 | C11H11O2N4F | O=C(O)NCc1cn(Cc2ccc(F)cc2)nn1 |
|
AD05609 | 0.96 | 290.04 | C6H5ON5I | CONc1nc(I)nc2c1N=C[N]2 |
|
AD05610 | 2.39 | 164.25 | C11H16O | OCCCCCc1ccccc1 |