Glycoside
GD039072
Name:
5'-o-[(r)-hydroxy(propanoylamino)phosphoryl]adenosineFormula:
C13H19O7N6PSmiles:
CCC(=O)NP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCC(=O)NP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.3 | Num_heavy_atoms: | 27 |
| TPSA: | 194.94 | 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 |
AD24265
Formula: C4H10O4NP
Smiles:
CCC(=O)NP(=O)(O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.1 | Num_heavy_atoms: | 10 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
