Glycoside
GD040418
Name:
5'-o-{(r)-hydroxy[(l-lysylamino)oxy]phosphoryl}adenosineFormula:
C16H27O8N8PSmiles:
NCCCC[C@H](N)C(=O)NO[P@@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)ONC(=O)C(N)CCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 490.41 | Num_heavy_atoms: | 33 |
| TPSA: | 256.21 | 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 |
AD24761
Formula: C7H18O5N3P
Smiles:
COP(=O)(O)ONC(=O)C(N)CCCCN| HBA: | 8 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 255.21 | Num_heavy_atoms: | 16 |
| TPSA: | 136.9 | NumAromaticRings: | 0 |
