natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD115203 | 5.18 | 1205.46 | C58H109O23P | CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
|
GD115204 | 8.67 | 1085.4 | C55H105O18P | CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCC |
|
GD115205 | 5.54 | 658.87 | C38H58O9 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C6(C)CCCC(CC43C)C65)C2C1 |
|
GD115206 | 0.0 | 514.61 | C26H42O10 | CC1(C(=O)O)CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)C3CCC4CC3(CCC12)CC4(O)CO |
|
GD115207 | -1.16 | 610.57 | C28H34O15 | COc1cc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)ccc1O |
|
GD115208 | -3.35 | 798.7 | C35H42O21 | CC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O |
|
GD115209 | 4.17 | 1579.21 | C73H112O24N13Cl | CC=C(N=C(O)CN=C(O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(O)=NC(C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(OC3OC(C)C(O)C(O)C3O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O)C(C)N |
|
GD115210 | 7.95 | 1124.42 | C62H93O17N | CCCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CCC(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(C1)OC3=O |
|
GD115211 | 1.78 | 795.8 | C41H41O12N5 | N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(C5(O)CCCCC5)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1 |
|
GD115212 | -0.03 | 796.81 | C41H42O12N5 | [NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(C5(O)CCCCC5)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1 |