aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11651 | 0.21 | 313.93 | C6H6O3N2Br2 | O=c1[nH]cc(C(O)C(Br)Br)c(=O)[nH]1 |
|
AD11652 | 2.03 | 230.22 | C13H10O4 | O=C(c1ccccc1)c1c(O)cc(O)cc1O |
|
AD11653 | 4.2 | 343.51 | C22H33O2N | CC12CCC(O)CC1CCC1C2CCC2(C)C(C=CC#N)CCC12O |
|
AD11654 | 10.54 | 661.92 | C36H70O8P | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OP(=O)([O-])OC |
|
AD11655 | 3.52 | 243.33 | C14H19N4 | C1=Nc2c(NC3CCCCCCC3)ccnc2[N]1 |
|
AD11656 | 5.3 | 341.54 | C20H39O3N | CCCCCCCCCCCCCCC(=O)NC(C(=O)O)C(C)C |
|
AD11657 | 5.19 | 305.4 | C19H15ONS | Oc1cccc2[nH]cc(Cc3ccc(-c4ccsc4)cc3)c12 |
|
AD11658 | 1.94 | 244.28 | C12H8O2N2S | O=c1[nH]cc(-c2cc3ccccc3s2)c(=O)[nH]1 |
|
AD11659 | 2.33 | 256.06 | C9H6O3NBr | O=C(O)c1c[nH]c2cc(Br)c(O)cc12 |
|
AD11660 | 1.3 | 188.12 | C7H9O4P | O=P(O)(O)OCc1ccccc1 |