Glycoside
GD038035
Name:
5'-o-(n-ethyl-sulfamoyl)adenosineFormula:
C12H18O6N6SSmiles:
CCNS(=O)(=O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.38 | Num_heavy_atoms: | 25 |
| TPSA: | 174.71 | NumAromaticRings: | 2 |
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 |
AD23837
Formula: C3H9O3NS
Smiles:
CCNS(=O)(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.18 | Num_heavy_atoms: | 8 |
| TPSA: | 55.4 | NumAromaticRings: | 0 |
