aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13461 | -2.49 | 1137.95 | C35H50O22N9P3S3 | CON1CC2(CO)OC(n3cc(C)c(N)nc3=O)C(O1)C2OP(O)(=S)OCC12CN(OC)OC(C(n3cc(C)c(=O)[nH]c3=O)O1)C2OP(O)(=S)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OP(O)(=S)OC |
|
AD13462 | -2.91 | 803.66 | C24H35O16N7P2S2 | CON1CC2(COP(O)(=S)OC3C4ON(OC)CC3(COP(O)(O)=S)OC4n3cc(C)c(N)nc3=O)OC(n3cc(C)c(=O)[nH]c3=O)C(O1)C2O |
|
AD13463 | 4.73 | 375.6 | C24H41O2N | CC1CCC2(NC1)OC1C3CCC4CC(O)CCC4(C)C3CCC1(C)C2C |
|
AD13464 | 3.41 | 343.78 | C16H8O2N4ClS | O=c1oc2ccc(Cl)cc2cc1CSC1=Nc2cncnc2[N]1 |
|
AD13465 | 3.31 | 284.31 | C17H16O4 | COc1ccc(C=CC(=O)c2ccc(O)c(OC)c2)cc1 |
|
AD13466 | 2.72 | 321.15 | C14H8N7Cl2 | Nc1nc(NN=Cc2ccc(Cl)c(Cl)c2)nc2c1N=C[N]2 |
|
AD13467 | 1.74 | 197.66 | C11H12ONCl | OC1CCNC1c1cccc(Cl)c1 |
|
AD13468 | 8.59 | 1541.12 | C83H145O17N9 | CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C(=O)NCCCC(=O)NCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO)(COCCC(=O)NCCCNC(=O)CCCCO)COCCC(=O)NCCCNC(=O)CCCCO)CCC32)C1 |
|
AD13469 | 1.74 | 197.66 | C11H12ONCl | OC1CNC(c2cccc(Cl)c2)C1 |
|
AD13470 | 3.68 | 322.37 | C18H17N5F | CCCCC#Cc1nc2c(c(NCc3cccc(F)c3)n1)N=C[N]2 |