aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03041 | 5.57 | 572.83 | C35H56O6 | CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO |
|
AD03042 | 1.41 | 166.18 | C9H10O3 | O=C(O)CCc1ccccc1O |
|
AD03043 | -0.54 | 114.1 | C5H6O3 | O=C1C=CC(CO)O1 |
|
AD03044 | 5.16 | 360.44 | C21H16O2N2S | COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1 |
|
AD03045 | -0.97 | 102.14 | C4H10ON2 | CN(C)CC(N)=O |
|
AD03046 | 3.52 | 1052.31 | C57H85O15N3 | CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN(C)C)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1 |
|
AD03047 | -0.13 | 228.2 | C10H12O6 | CC1OC(=O)CC2C(C(=O)O)=COC(O)C12 |
|
AD03048 | 4.85 | 1313.13 | C66H59O18N9Cl2 | CN(C)CCCNC(=O)C1NC(=O)C2(C)NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc4c5)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD03049 | 4.92 | 557.77 | C33H51O6N | CC(C)C1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1 |
|
AD03050 | 1.89 | 253.29 | C13H13N6 | Cc1ccccc1CNc1nc(N)nc2c1N=C[N]2 |