aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05491 | -0.44 | 273.19 | C8H12O4N5P | Nc1ncnc2c1ncn2COCCP(=O)(O)O |
|
AD05492 | -1.37 | 2227.85 | C109H136O29N21Cl | CCC=CC=CCC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD05493 | 2.1 | 566.69 | C30H46O10 | CCCC(=O)OC1CC2CC(O)CC(CC(C)C=CC=CCC3OC(CC3C)C(O)CC3OC(=O)C1(O)C3O)O2 |
|
AD05494 | -1.1 | 95.12 | CH5O2NS | CS(N)(=O)=O |
|
AD05495 | -0.44 | 123.18 | C3H9O2NS | CCS(=O)(=O)NC |
|
AD05496 | 1.08 | 669.64 | C33H35O14N | COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC(C)=O)C(N(C)C)C1OC(C)=O |
|
AD05497 | 0.83 | 202.21 | C11H10O2N2 | O=c1c2ccccc2nc2n1CCC2O |
|
AD05498 | 2.69 | 272.72 | C14H11N5Cl | Clc1cccc(CCNc2ncnc3c2N=C[N]3)c1 |
|
AD05499 | 0.82 | 120.17 | C4H8O2S | CSCCC(=O)O |
|
AD05500 | 2.16 | 726.96 | C35H66O8N8 | CCCCCCCCCCCCCCCC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O |