aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05481 | 4.87 | 506.58 | C27H26O6N2S | O=C(O)C1=CC(=NC(S)=NCCCCCCO)C=CC1=C1c2ccc(O)cc2Oc2cc(O)ccc21 |
|
AD05482 | 2.28 | 260.23 | C12H8N5F2 | Fc1cc(F)cc(CNc2ncnc3c2N=C[N]3)c1 |
|
AD05483 | 3.41 | 588.41 | C26H26O8N3Br | COC(=O)C1(C)Nc2c(O)cc3c(c2C1=O)CC(Br)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 |
|
AD05484 | 4.87 | 302.78 | C17H11O2ClS | Clc1c(Cc2cc3ccccc3s2)ccc2c1OCO2 |
|
AD05485 | -2.11 | 574.68 | C24H46O8N8 | CC(C)CC(NC(=O)C(CCCN=C(N)N)NC(=O)NC(C(=O)O)C(C)C)C(=O)NCCCNC(CO)C(=O)O |
|
AD05486 | 1.7 | 348.26 | C16H12O9 | COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1O |
|
AD05487 | 4.16 | 616.79 | C35H52O9 | CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C |
|
AD05488 | 7.17 | 458.73 | C30H50O3 | CC(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 |
|
AD05489 | 2.19 | 169.57 | C8H4O2NCl | Oc1noc2cc(Cl)ccc12 |
|
AD05490 | -0.06 | 368.47 | C20H32O6 | C=C1C2CCC3C(O)C2(CC(O)C2(O)C1C(O)C(O)C2(C)C)CC3(C)O |