aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19811 | 0.45 | 281.36 | C14H23O3N3 | CN(CCC(N)C(=O)O)CC1CN(Cc2ccoc2)C1 |
|
AD19812 | 0.36 | 205.25 | C9H13N6 | CN(C)CCNc1ncnc2c1N=C[N]2 |
|
AD19813 | -1.2 | 154.12 | C2H4O5NS | COC(=O)NS(=O)(=O)[O-] |
|
AD19814 | 3.87 | 262.52 | C13H6ONCl3 | O=CCc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12 |
|
AD19815 | 1.24 | 303.29 | C9H7ON10S | Nc1nc(N=NNC(=O)Nc2nccs2)nc2c1N=C[N]2 |
|
AD19816 | 8.47 | 1409.2 | C72H51O18N9Cl2S | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc3ccccc3c1Sc1ncccn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD19817 | 10.83 | 1457.28 | C78H55O18N7Cl2S | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc3cc4ccccc4cc3c1Sc1ccccc1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD19818 | 2.68 | 350.5 | C21H34O4 | CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12O |
|
AD19819 | 2.82 | 220.26 | C9H8ON4S | N=C(S)N=Nc1c(O)[nH]c2ccccc12 |
|
AD19820 | 0.62 | 138.13 | C6H6O2N2 | C=NNC(=O)c1ccco1 |