aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22621 | 1.63 | 152.15 | C8H8O3 | OC=Cc1ccc(O)c(O)c1 |
|
AD22622 | 1.95 | 367.43 | C19H23O2N6 | O=C(CCCc1ccccc1)NCCOCCNc1ncnc2c1N=C[N]2 |
|
AD22623 | 1.17 | 289.34 | C15H19O3N3 | CNC(=O)CCCCC(=O)Nc1cccc2c1CNC2=O |
|
AD22624 | 6.3 | 844.05 | C42H51O7N8S2 | CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCNc3ncnc4c3N=C[N]4)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2ccc(S(=O)(=O)O)cc21 |
|
AD22625 | 1.64 | 192.18 | C8H8O2N4 | [N-]=[N+]=NCC(=O)Nc1ccc(O)cc1 |
|
AD22626 | -0.29 | 155.09 | C3H10O4NP | COP(=O)(O)OCCN |
|
AD22627 | 1.6 | 373.53 | C19H27ON5S | CSCCC(N)C(=O)NCc1cc2n(n1)CCN(Cc1ccccc1)C2 |
|
AD22628 | -1.1 | 660.95 | C25H48O8N4S4 | O=C(CCSCC(CSCCC(=O)NCCO)(CSCCC(=O)NCCO)CSCCC(=O)NCCO)NCCO |
|
AD22629 | 1.92 | 291.35 | C16H21O4N | CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCC(O)CC1 |
|
AD22630 | 2.97 | 230.31 | C14H18ON2 | CCCc1ccc(Cc2c(O)n[nH]c2C)cc1 |