aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06061 | 1.68 | 261.32 | C9H11O4NS2 | O=S(=O)(O)ON=C(S)CCc1ccccc1 |
|
AD06062 | 0.23 | 166.19 | C5H4N5S | Nc1ncnc2c1N=C(S)[N]2 |
|
AD06063 | 1.44 | 484.67 | C27H48O7 | CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)C(O)C12O |
|
AD06064 | -0.17 | 126.13 | C2H6O4S | CCOS(=O)(=O)O |
|
AD06065 | 4.77 | 573.82 | C34H55O6N | CCCNC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2 |
|
AD06066 | -0.69 | 276.14 | C6H16O7NP2 | COP(=O)([O-])OP(=O)([O-])OCC[N+](C)(C)C |
|
AD06067 | 4.14 | 296.42 | C16H12N2S2 | N#CC1=C(S)NC(c2ccccc2)=CC1c1cccs1 |
|
AD06068 | 5.02 | 1283.1 | C65H57O17N9Cl2 | CCNCCCNC(=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 |
|
AD06069 | 4.97 | 918.18 | C48H79O12N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCCCCCCCC(=O)NO)nn4)cc3)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD06070 | 2.91 | 169.31 | C11H23N | CCCN(C)CC1CCCCC1 |