Glycoside
GD039998
Name:
5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosineFormula:
C17H19O7N7SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CNS(=O)(=O)NC(=O)c2cccc(O)c2)[C@@H](O)[C@H]1OAglycone:
CNS(=O)(=O)NC(=O)c1cccc(O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.45 | Num_heavy_atoms: | 32 |
| TPSA: | 214.81 | 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 |
AD24631
Formula: C8H10O4N2S
Smiles:
CNS(=O)(=O)NC(=O)c1cccc(O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.25 | Num_heavy_atoms: | 15 |
| TPSA: | 95.5 | NumAromaticRings: | 1 |
