aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03211 | 1.23 | 275.2 | C10H14O6NP | CNC(=O)OC(c1cccc(OC)c1)P(=O)(O)O |
|
AD03212 | 3.09 | 451.56 | C23H37O6N3 | CCC1OC(=O)CC(O)C(C)C(O)C(CCN=[N+]=[N-])CC(C)C(=O)C=CC(C)=CC1CO |
|
AD03213 | -3.44 | 802.78 | C32H51O14N8P | Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3C(=O)NCCCCCCNC3C(O)C(N)CC(N)C3O)O2)c(=O)[nH]c1=O |
|
AD03214 | -1.23 | 362.39 | C17H22O5N4 | O=c1ccn(C2OC(C(O)CNCCc3ccncc3)CC2O)c(=O)[nH]1 |
|
AD03215 | 2.48 | 562.42 | C25H23O13P | COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)(O)O)ccc1O |
|
AD03216 | 3.32 | 324.33 | C19H16O5 | CC(=O)CC(c1ccccc1)c1c(O)c2cc(O)ccc2oc1=O |
|
AD03217 | 0.43 | 131.12 | C6H3N4 | N#Cc1cnn2c1[N]C=C2 |
|
AD03218 | 3.59 | 540.73 | C25H37O4N4FS2 | CSCCCCCCSCC(=O)N1CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1 |
|
AD03219 | 1.36 | 263.16 | C9H11O5NFP | CNC(=O)OC(c1ccc(F)cc1)P(=O)(O)O |
|
AD03220 | -0.89 | 112.02 | CH5O4P | O=P(O)(O)CO |