Glycoside
GD039277
Name:
histidyl-adenosine monophosphateFormula:
C16H21O8N8PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])OC(=O)[C@H]([NH3+])Cc2c[nH]cn2)[C@@H](O)[C@H]1OAglycone:
COP(=O)([O-])OC(=O)C([NH3+])Cc1c[nH]cn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.37 | Num_heavy_atoms: | 33 |
| TPSA: | 251.29 | NumAromaticRings: | 3 |
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 |
AD24329
Formula: C7H12O5N3P
Smiles:
COP(=O)([O-])OC(=O)C([NH3+])Cc1c[nH]cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 249.16 | Num_heavy_atoms: | 16 |
| TPSA: | 131.98 | NumAromaticRings: | 1 |
