aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07351 | 2.93 | 195.22 | C13H9ON | N#Cc1ccc(-c2ccc(O)cc2)cc1 |
|
AD07352 | 3.2 | 188.2 | C12H9OF | Oc1ccc(-c2cccc(F)c2)cc1 |
|
AD07353 | 5.03 | 591.72 | C33H37O2N9 | CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCCCOCc7cn(C)nn7)cc6)[nH]c5c4)[nH]c3c2)CC1 |
|
AD07354 | -0.56 | 299.37 | C14H25O4N3 | CC1NC(=O)C(CCC(=O)NCCCCCCO)NC1=O |
|
AD07355 | 0.31 | 204.19 | C9H8O2N4 | C=NN=C1NC(=O)C(=Cc2ccco2)N1 |
|
AD07356 | 7.98 | 772.8 | C45H40O12 | O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)c(C(CCc1ccc(O)cc1)c1ccc(O)cc1O)c(O)c2C(CCc1ccc(O)cc1)c1ccc(O)cc1O |
|
AD07357 | 4.92 | 348.43 | C20H16O2N2S | CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12 |
|
AD07358 | -0.15 | 219.24 | C9H17O5N | COC(=O)NC1C(C)OC(O)CC1OC |
|
AD07359 | 5.07 | 3224.65 | C98H128O56N28P10S10 | Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD07360 | 3.77 | 284.32 | C14H10O2N3S | O=[N+]([O-])c1ccc(CSC2=Nc3ccccc3[N]2)cc1 |