aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22141 | 4.45 | 1283.01 | C63H49O19N9Cl2 | O=C1NC2C(=O)NC3c4cc(c(O)c(c4)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC3O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC4=O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc(CO)nn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD22142 | 2.81 | 243.31 | C15H17O2N | CCCCN1C(=O)C(=CC(C)=O)c2ccccc21 |
|
AD22143 | 3.34 | 295.31 | C18H14O2NF | CC(=O)C=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21 |
|
AD22144 | 8.39 | 724.79 | C38H33O3N7F3S | CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 |
|
AD22145 | 4.8 | 749.0 | C42H68O11 | CCC(C=CC(O)C(C)C(O)C(C)C1OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C2(O)CC(O)C(CC)C(C)O2)OC(=O)C=CC=CC1C)C(C)O |
|
AD22146 | 3.34 | 398.5 | C24H30O5 | CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C(c3ccc(=O)oc3)CCC12O |
|
AD22147 | 2.35 | 462.63 | C27H42O6 | CC1=C2C3(C)CCC4C(CC(O)C5(O)CC(O)CCC45C)C3CC2(O)C(CC(C)CO)C1=O |
|
AD22148 | -11.35 | 3020.41 | C132H215O47N31S | CCC(C)C(NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(=O)CCSC1CC(=O)N(CCCC(=O)NCCOCCOCCOCC(=O)OC)C1=O)C(C)CC |
|
AD22149 | 0.21 | 168.57 | C6H3N5Cl | Nc1ncnc2c1C(Cl)=N[N]2 |
|
AD22150 | -0.86 | 204.14 | C3H9O6PS | COC(P(=O)(O)O)S(C)(=O)=O |