aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24081 | 0.33 | 110.12 | C5H6ON2 | O=C1NC=CC=CN1 |
|
AD24082 | 0.23 | 535.45 | C16H31O11N3P2S | CNC(=O)CCSCC=NC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD24083 | 1.0 | 338.32 | C11H19O6N2PS | COP(=O)(O)OC(=O)CCCCC1SCC2NC(=O)NC21 |
|
AD24084 | 0.99 | 808.89 | C38H52O10N10 | O=C(NCCCN1CCN(CCCNc2c(NCCCN3CCN(CCCNC(=O)c4cc(O)cc([N+](=O)[O-])c4)CC3)c(=O)c2=O)CC1)c1cc(O)cc([N+](=O)[O-])c1 |
|
AD24085 | 0.65 | 873.97 | C39H59O12N11 | NC(COC(=O)NCCCN1CCN(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1)COC(=O)NCCCN1CCN(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 |
|
AD24086 | -1.11 | 1150.22 | C51H71O16N15 | NC(COC(=O)NCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O)COC(=O)NCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O |
|
AD24087 | 0.55 | 1470.64 | C67H103O22N15 | NC(COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O)COC(=O)NCCCOCCOCCOCCCNc1c(NCCCN2CCN(CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(=O)c1=O |
|
AD24088 | 3.54 | 638.79 | C32H42O6N6S | CC(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCN=C(S)NCCC(=O)O)NC(=O)OCc1ccccc1 |
|
AD24089 | 2.55 | 944.89 | C38H54O16N6P2S | COP(=O)(O)OP(=O)(O)OCC1OC2SC(NCCCCC(NC(=O)OCc3ccccc3)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NC(C)C)(NCCC(=O)O)OC2C1O |
|
AD24090 | 0.53 | 289.29 | C14H15O4N3 | COC(=O)c1ccc(CON=c2cc[nH]c(=O)n2C)cc1 |