Glycoside
GD040543
Name:
5'-o-[(s)-hydroxy{[(1r)-1-hydroxyundecyl]oxy}phosphoryl]adenosineFormula:
C21H36O8N5PSmiles:
CCCCCCCCCC[C@H](O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCC(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 15 |
| MolWt: | 517.52 | Num_heavy_atoms: | 35 |
| TPSA: | 195.3 | 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 |
AD24807
Formula: C12H27O5P
Smiles:
CCCCCCCCCCC(O)OP(=O)(O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 282.32 | Num_heavy_atoms: | 18 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
