aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18941 | 0.19 | 161.18 | C5H7O3NS | CNS(=O)(=O)c1ccco1 |
|
AD18942 | 0.96 | 191.28 | C6H9O2NS2 | CNS(=O)(=O)c1sccc1C |
|
AD18943 | -1.13 | 347.34 | C14H17O4N7 | CC(C(=O)OCc1cn(C)nn1)n1cnc2c1c(=O)n(C)c(=O)n2C |
|
AD18944 | 0.07 | 178.17 | C8H8O2N3 | COCn1cnc2c(c1=O)C=C[N]2 |
|
AD18945 | 2.06 | 255.21 | C13H5N4F2 | Fc1cc(F)cc(C#Cc2ncnc3c2N=C[N]3)c1 |
|
AD18946 | 8.46 | 1457.34 | C72H63O20N7Cl2S2 | CCCCSC1=C(SCCCC)C(=O)N(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)C1=O |
|
AD18947 | 0.98 | 219.24 | C12H13O3N | C=CC(=O)NC(Cc1ccccc1)C(=O)O |
|
AD18948 | 3.63 | 600.75 | C34H48O9 | CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4(O)C(O)C(C)=CC(C(=O)O1)C34O)O2 |
|
AD18949 | 1.64 | 215.21 | C12H9O3N | NC(=O)c1cc2ccccc2cc1C(=O)O |
|
AD18950 | 6.25 | 773.02 | C44H68O11 | CC=C(C)C(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)C(OC(C)=O)C2OC(C)=O |