aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16531 | 1.19 | 138.17 | C8H10O2 | COc1ccccc1CO |
|
AD16532 | 2.1 | 203.23 | C9H11N6 | CC(C)=CCNc1ncnc2c1N=N[N]2 |
|
AD16533 | 4.05 | 306.76 | C18H16O2FCl | FC1(COc2ccc(Cc3ccccc3Cl)cc2)COC1 |
|
AD16534 | 8.1 | 1474.24 | C78H58O20N8Cl2 | COC(=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(Nc2c(NCc3ccc(-c5ccccc5)cc3)c(=O)c2=O)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD16535 | 1.31 | 263.27 | C13H14O2N3F | O=c1[nH]ccc(=NOCCCc2ccc(F)cc2)[nH]1 |
|
AD16536 | 0.24 | 238.29 | C11H18O2N4 | C=CCCCCn1cc(CNC(=O)CO)nn1 |
|
AD16537 | 1.67 | 257.3 | C11H9N6S | C=CCSc1ncnc2c1-c1c(N)ncnc1[N]2 |
|
AD16538 | 4.16 | 268.39 | C16H16N2S | CSCCNc1c2ccccc2nc2ccccc12 |
|
AD16539 | -3.56 | 988.86 | C43H50O10N13Br | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(-c4ccc(Br)cc4)oc3c2)NC1=O |
|
AD16540 | 0.31 | 214.29 | C9H14O2N2S | CNCc1ccc(S(=O)(=O)NC)cc1 |