Glycoside
GD040096
Name:
5'-o-[(pyridine-3-carbonyl)sulfamoyl]adenosineFormula:
C16H17O7N7SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccnc2)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1cccnc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.42 | Num_heavy_atoms: | 31 |
| TPSA: | 204.67 | 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 |
AD24663
Formula: C7H8O4N2S
Smiles:
COS(=O)(=O)NC(=O)c1cccnc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 216.22 | Num_heavy_atoms: | 14 |
| TPSA: | 85.36 | NumAromaticRings: | 1 |
