aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07101 | 1.74 | 122.17 | C8H10O | CC(O)c1ccccc1 |
|
AD07102 | 4.89 | 428.61 | C27H40O4 | CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C |
|
AD07103 | 5.23 | 478.74 | C28H46O4S | COC1(CCC(C)CS)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C |
|
AD07104 | 0.41 | 165.19 | C9H11O2N | O=C(NCCO)c1ccccc1 |
|
AD07105 | 5.36 | 327.55 | C20H41O2N | CCCCCCCCCCCCCCCCCC(=O)NCCO |
|
AD07106 | -3.52 | 588.66 | C24H44O9N8 | CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(O)C(C)C)C1CCN=C(N)N1)C(=O)O |
|
AD07107 | 2.69 | 1439.33 | C72H73O17N13Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)N1CCNCCNCCNCCNCCNCC1)NC3=O |
|
AD07108 | 6.32 | 1579.56 | C82H89O19N11Cl2 | CNC(CC(C)C)C(=O)NC(=O)CC1NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2)C(OC2CC(C)(N)C(O)C(C)O2)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCc1ccc(-c3ccc(Cl)cc3)cc1)NC2=O |
|
AD07109 | 3.35 | 766.07 | C42H75O9N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNCCCCc2ccccc2)C(C)C(O)C1(C)O |
|
AD07110 | 1.29 | 294.34 | C15H16N7 | Nc1nc2c(c(N3CCN(c4ccccc4)CC3)n1)N=C[N]2 |