Glycoside
GD039926
Name:
5'-o-[n-(prolyl)-sulfamoyl]adenosineFormula:
C15H22O7N7PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)NC(=O)[C@@H]2CCCN2)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)NC(=O)C1CCCN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.36 | Num_heavy_atoms: | 30 |
| TPSA: | 206.97 | 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 |
AD24593
Formula: C6H13O4N2P
Smiles:
COP(=O)(O)NC(=O)C1CCCN1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.15 | Num_heavy_atoms: | 13 |
| TPSA: | 87.66 | NumAromaticRings: | 0 |
