aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18501 | 2.93 | 227.26 | C14H13O2N | COc1ccc(-c2ccccc2)cc1NC=O |
|
AD18502 | 5.5 | 1309.14 | C67H59O17N9Cl2 | CCN1CCCC1CNC(=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 |
|
AD18503 | -1.53 | 170.13 | C5H6O3N4 | COC1NC(=O)NC(=O)C1=[N+]=[N-] |
|
AD18504 | 1.52 | 113.2 | C7H15N | CC(N)CC1CCC1 |
|
AD18505 | 0.31 | 136.2 | C3H4O2S2 | O=C1CC[S+]([O-])S1 |
|
AD18506 | 5.61 | 1289.06 | C66H51O17N9Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCc1ccccn1)NC3=O |
|
AD18507 | 6.14 | 593.52 | C30H24O2N7Cl2S | Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2 |
|
AD18508 | 4.58 | 594.75 | C34H46O7N2 | CCC1OC(=O)CC(O)C(C)C(O)C(C=O)CC(C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1CO |
|
AD18509 | 4.42 | 270.38 | C14H10N2S2 | S=c1[nH]c2ccccc2c(=S)n1-c1ccccc1 |
|
AD18510 | 1.46 | 287.69 | C12H8N8Cl | Nc1nc(NN=Cc2cccnc2Cl)nc2c1N=C[N]2 |