aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15821 | 0.57 | 188.27 | C9H20O2N2 | CCCNC(C)CCC(N)C(=O)O |
|
AD15822 | 1.66 | 281.33 | C14H21O4N2 | CC(C)(C)OC(=O)NCCCc1c[nH+]cc(C(=O)O)c1 |
|
AD15823 | 6.27 | 486.74 | C31H50O4 | COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(O)C3(C)C |
|
AD15824 | 7.74 | 740.98 | C46H60O8 | CC1(C)CC2C3(C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC24OC3O)C(OC(=O)C=Cc2ccccc2)C1OC(=O)c1ccccc1 |
|
AD15825 | -4.25 | 953.03 | C45H56O10N14 | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(-c4ccc(N(C)C)cc4)oc3c2)NC1=O |
|
AD15826 | 5.43 | 1015.16 | C51H58O4N20 | CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccc(OCc7cn(CCCCC(=O)C(CCn8cc(OCc9cn(C)nn9)nn8)CCn8cc(OCc9cn(C)nn9)nn8)nn7)cc6)cc5c4)[nH]c3c2)CC1 |
|
AD15827 | 4.68 | 379.39 | C19H26O5NP | CCCCCOC(=O)C(C)NP(=O)(OC)Oc1cccc2ccccc12 |
|
AD15828 | 1.27 | 166.22 | C10H14O2 | C=C1COC2(CO)C(C)=CCC12 |
|
AD15829 | -0.64 | 206.19 | C7H8ON7 | Nc1nc(NN=CCO)nc2c1N=C[N]2 |
|
AD15830 | 5.3 | 725.93 | C39H59O8N5 | CCC1OC(=O)CC(O)C(C)C(O)C(CC(C(=O)NC(C)(C)C)N(CCCCN=[N+]=[N-])C(=O)c2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO |