Glycoside
GD038559
Name:
5'-o-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosineFormula:
C18H17O7N7SSmiles:
N#Cc1cccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1Aglycone:
COS(=O)(=O)NC(=O)c1cccc(C#N)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.44 | Num_heavy_atoms: | 33 |
| TPSA: | 215.57 | 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 |
AD24056
Formula: C9H8O4N2S
Smiles:
COS(=O)(=O)NC(=O)c1cccc(C#N)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.24 | Num_heavy_atoms: | 16 |
| TPSA: | 96.26 | NumAromaticRings: | 1 |
