Glycoside
GD031869
Name:
NoneFormula:
C27H24O7N7FSSmiles:
Nc1ncnc2c1nc(NCc1ccc3ncccc3c1)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(NCc1ccc3ncccc3c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 609.6 | Num_heavy_atoms: | 43 |
| TPSA: | 204.67 | NumAromaticRings: | 5 |
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 |
AD12413
Formula: C15H12N7
Smiles:
Nc1ncnc2c1N=C(NCc1ccc3ncccc3c1)[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 22 |
| TPSA: | 103.18 | NumAromaticRings: | 3 |
