aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10381 | 3.41 | 1303.26 | C66H62O21N8 | COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD10382 | 5.71 | 470.69 | C30H46O4 | CC1CC2(OCC3(C)OC32)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C12 |
|
AD10383 | 1.6 | 232.24 | C12H12O3N2 | COc1cccc(-c2cc(CNC=O)no2)c1 |
|
AD10384 | -0.04 | 139.14 | C5H7ON4 | CCOC(=N)C1=N[N]C=N1 |
|
AD10385 | -1.63 | 314.15 | C8H14O8NP2 | COP(=O)([O-])OC(C(=O)N1CCCCC1)P(=O)([O-])[O-] |
|
AD10386 | 14.4 | 1002.71 | C44H12N4F18S2 | Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(S)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(S)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F |
|
AD10387 | 7.36 | 767.79 | C32H59O12N5P2 | CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OC)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] |
|
AD10388 | 6.32 | 344.44 | C20H16N4S | Cc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1 |
|
AD10389 | -9.29 | 1196.4 | C46H89O11N27 | CC(NC(=O)CCNC(=O)CCNC=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O |
|
AD10390 | 3.32 | 347.26 | C11H11O2N2S2Br | Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C |