natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD115133 | 6.4 | 787.0 | C44H66O12 | CC(=O)OCC1OC(OC2CCC3C45CCC6(C)C(C(C)CC=CC(C)(C)O)CCC6(C)C4C=CC3(OC5)C2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD115134 | 9.31 | 798.2 | C46H87O9N | CCCCCCCCC=CCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCC |
|
GD115135 | 0.47 | 760.74 | C37H44O17 | C=CC(C)(O)CCC=C(C)C(=O)OC1C(O)C(C)OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C1O |
|
GD115136 | 13.34 | 883.31 | C57H86O7 | CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(OC2OC(COC(=O)CCCCCCCC(C)C)C(O)C(O)C2O)CC1(C)C |
|
GD115137 | -0.78 | 666.7 | C34H40O11N3 | Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3 |
|
GD115138 | -3.92 | 756.66 | C33H40O20 | CC1OC(OCC2OC(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(OC6OC(CO)C(O)C(O)C6O)c5)oc4c3)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD115139 | 4.38 | 931.1 | C44H83O18P | CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC |
|
GD115140 | -18.44 | 1315.14 | C48H82O41 | OCC1OC(CO)(OCC2(OCC3(OCC4(OCC5(OCC6(OCC7OC(OC8(CO)OC(CO)C(O)C8O)C(O)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O |
|
GD115141 | -2.16 | 950.85 | C43H50O24 | COc1cc(C=CC(=O)OCC2OC(OC3=CC(O)=C[C]4[OH+]C(c5cc(O)c(O)c(O)c5)=C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)C=C43)C(O)C(O)C2O)ccc1O |
|
GD115142 | 8.24 | 1746.95 | C74H83O25N13S6 | C=C(N=C(O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(O)=NC(C(C)O)C(O)=NC(=C(C)OC)c2nc(cs2)C(O)=NC2c4nc(c(OC5OC(C)C(OC6CCC(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(OC)C5OC)s4)C(=O)NC(CSC(=O)c4[nH]c5cccc(c5c4COC)COC(=O)CC2O)c2nc-3cs2)n1)C(=N)O |