aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21641 | 0.8 | 349.99 | C2H10O12P4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(C)(=O)O |
|
AD21642 | 0.81 | 182.18 | C9H10O4 | COC(=O)Cc1ccc(O)c(O)c1 |
|
AD21643 | 3.4 | 903.22 | C50H78O7N8 | NCC1CC(C(=O)NC(CCc2ccccc2)C(=O)Nc2ccc3ccccc3c2)N(CCCCCCCCCCCCOC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)CC2N)C1 |
|
AD21644 | -1.44 | 266.27 | C8H8O2N7S | CN1N=C(N)C2=N[N]c3nc(S(C)(=O)=O)nc1c32 |
|
AD21645 | 1.26 | 220.28 | C9H10N5S | Nc1ncnc2c1C(SC1CCC1)=N[N]2 |
|
AD21646 | -0.24 | 168.19 | C4H4N6S | Nc1nn2cnnc2c(=S)[nH]1 |
|
AD21647 | 5.01 | 550.55 | C25H14O4N5F2S2 | Nc1nc2c(c(SCc3cc4cc(F)ccc4oc3=O)n1)N=C(SCc1cc3cc(F)ccc3oc1=O)[N]2 |
|
AD21648 | 6.04 | 583.46 | C27H14O4N5Cl2S2 | Nc1nc2c(c(SCc3cc4cc(Cl)ccc4oc3=O)n1)N=C(SCc1cc3cc(Cl)ccc3oc1=O)[N]2 |
|
AD21649 | -0.75 | 167.1 | C4H10O4NP | CN(C)C(=O)CP(=O)(O)O |
|
AD21650 | 1.65 | 406.43 | C21H26O8 | COC(=O)C1=CCC(O)C(CCC=O)C1CC(=O)OCCc1ccc(O)c(O)c1 |