Glycoside
GD037613
Name:
5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineFormula:
C18H17O8N5PClSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)OC(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(=O)c1ccc(Cl)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.78 | Num_heavy_atoms: | 32 |
| TPSA: | 192.14 | 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 |
AD23672
Formula: C9H8O5PCl
Smiles:
COP(=O)(O)OC(=O)c1ccc(Cl)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.57 | Num_heavy_atoms: | 15 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
