Glycoside
GD039711
Name:
5-nitrocytidine 5'-(tetrahydrogen triphosphate)Formula:
C9H15O16N4P3Smiles:
Nc1nc(=O)n([C@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc(=O)[nH]cc1[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 528.15 | Num_heavy_atoms: | 32 |
| TPSA: | 313.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD00820
Formula: C4H4O3N4
Smiles:
Nc1nc(=O)[nH]cc1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.1 | Num_heavy_atoms: | 11 |
| TPSA: | 114.91 | NumAromaticRings: | 1 |
