Glycoside
GD038699
Name:
5'-o-[(s)-(carbamoyloxy)(hydroxy)phosphoryl]adenosineFormula:
C11H15O8N6PSmiles:
NC(=O)O[P@@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.25 | Num_heavy_atoms: | 26 |
| TPSA: | 218.16 | 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 |
AD24104
Formula: C2H6O5NP
Smiles:
COP(=O)(O)OC(N)=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.05 | Num_heavy_atoms: | 9 |
| TPSA: | 98.85 | NumAromaticRings: | 0 |
