Glycoside
GD039806
Name:
5'-o-[n-(l-asparaginyl)sulfamoyl]adenosineFormula:
C14H21O8N8SSmiles:
NC(=O)C[C@H]([NH3+])C(=O)NS(=O)(=O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C([NH3+])CC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -5.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 461.44 | Num_heavy_atoms: | 31 |
| TPSA: | 262.51 | 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 |
AD24543
Formula: C5H12O5N3S
Smiles:
COS(=O)(=O)NC(=O)C([NH3+])CC(N)=O| HBA: | 8 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 226.23 | Num_heavy_atoms: | 14 |
| TPSA: | 143.2 | NumAromaticRings: | 0 |
