Glycoside
GD014306
Name:
NoneFormula:
C17H16O7N5FSSmiles:
Nc1ncnc2c1ncn2[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[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.41 | Num_heavy_atoms: | 31 |
| TPSA: | 179.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
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 |
