Glycoside
GD029399
Name:
NoneFormula:
C25H22O7N6FClSSmiles:
Nc1ncnc2c1nc(NCc1ccc(Cl)cc1)n2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(S(=O)(=O)F)cc1.Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.99 | Num_heavy_atoms: | 40 |
| TPSA: | 191.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD08471
Formula: C8H7O4FS
Smiles:
COC(=O)c1ccc(S(=O)(=O)F)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.2 | Num_heavy_atoms: | 14 |
| TPSA: | 60.44 | NumAromaticRings: | 1 |
AD08546
Formula: C13H10N6Cl
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.71 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
