Glycoside
GD037945
Name:
4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphateFormula:
C14H21O9N7PSmiles:
NC(=O)C[C@H]([NH3+])C(=O)O[P@@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(=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: | -3.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.34 | Num_heavy_atoms: | 31 |
| TPSA: | 262.87 | 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 |
AD23788
Formula: C5H12O6N2P
Smiles:
COP(=O)(O)OC(=O)C([NH3+])CC(N)=O| HBA: | 8 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 227.13 | Num_heavy_atoms: | 14 |
| TPSA: | 143.56 | NumAromaticRings: | 0 |
