Glycoside
GD040147
Name:
5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosineFormula:
C18H22O6N6SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CNS(=O)(=O)CCc2ccccc2O)[C@@H](O)[C@H]1OAglycone:
CNS(=O)(=O)CCc1ccccc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.48 | Num_heavy_atoms: | 31 |
| TPSA: | 185.71 | 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 |
AD24677
Formula: C9H13O3NS
Smiles:
CNS(=O)(=O)CCc1ccccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 215.27 | Num_heavy_atoms: | 14 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
