aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03201 | -0.81 | 125.13 | C5H7ON3 | Cn1c(=N)cc[nH]c1=O |
|
AD03202 | -0.88 | 405.41 | C19H23O7N3 | COC(=O)c1ccc(CNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1 |
|
AD03203 | 3.29 | 298.38 | C13H8N5S2 | C1=Nc2c(CSc3nc4ccccc4s3)ncnc2[N]1 |
|
AD03204 | 3.22 | 627.73 | C31H49O12N | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=O)N3C)C(C)(OC)CC(C)C(=O)C(C)C2OC(=O)OC12C |
|
AD03205 | 2.24 | 529.72 | C28H51O8N | CC1CC(N(C)C)C(O)C(OC2C(C)CC(C)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(O)C2C)O1 |
|
AD03206 | 3.32 | 279.38 | C19H21ON | CNCCC=C1c2ccccc2CC(O)c2ccccc21 |
|
AD03207 | 2.34 | 316.32 | C18H12O2N4 | O=c1[nH]c(=O)c2nc(-c3ccc(-c4ccccc4)cc3)cnc2[nH]1 |
|
AD03208 | 3.24 | 290.31 | C16H18O5 | CCCCCc1cc(O)c(C)c2oc(=O)c(C(=O)O)cc12 |
|
AD03209 | -1.21 | 151.15 | C6H7ON4 | OC1CNC=NC2=C1N=C[N]2 |
|
AD03210 | 5.61 | 410.53 | C20H43O6P | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)OC |