Glycoside
GD038502
Name:
aspartyl-adenosine-5'-monophosphateFormula:
C14H19O10N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OC(=O)[C@@H](N)CC(=O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)CC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.31 | Num_heavy_atoms: | 31 |
| TPSA: | 255.46 | 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 |
AD24038
Formula: C5H10O7NP
Smiles:
COP(=O)(O)OC(=O)C(N)CC(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 227.11 | Num_heavy_atoms: | 14 |
| TPSA: | 136.15 | NumAromaticRings: | 0 |
