aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16021 | 0.67 | 282.28 | C14H12O2N5 | COc1ccc(C2=C(C(N)=O)c3c(N)ncnc3[N]2)cc1 |
|
AD16022 | 1.96 | 360.32 | C18H16O8 | COc1ccc(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)cc1O |
|
AD16023 | -0.38 | 651.6 | C27H29O14N3S | NC(CCC(=O)NC(CSc1c(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)ccc(O)c1O)C(=O)NCC(=O)O)C(=O)O |
|
AD16024 | -2.11 | 508.58 | C23H36O7N6 | CC(=O)NC(C(=O)NC(CCCCNC(=O)c1ccccc1N)C(=O)NC(C(N)=O)C(C)O)C(C)O |
|
AD16025 | -2.13 | 823.99 | C38H65O11N9 | CC1NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)O)NOC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC1=O |
|
AD16026 | 3.44 | 320.19 | C12H8N4SBr | Brc1cccc(SCc2ncnc3c2N=C[N]3)c1 |
|
AD16027 | 0.96 | 239.3 | C10H13O2N3S | CCOc1cc(C=NNC(N)=S)ccc1O |
|
AD16028 | 7.45 | 340.59 | C22H44O2 | CCCCCCCCCC(CCCCCCCCC)CC(=O)OC |
|
AD16029 | 0.92 | 146.15 | C8H6ON2 | O=c1[nH]ccc2ncccc12 |
|
AD16030 | 0.61 | 261.31 | C8H12ON3PS2 | COP(=S)(NNC(N)=S)c1ccccc1 |