Glycoside
GD040248
Name:
phosphoric acid 2-amino-3-(4-hydroxy-phenyl)-propyl ester adenosin-5'yl esterFormula:
C19H24O8N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])OC[C@H](N)Cc2ccc(O)cc2)[C@@H](O)[C@H]1OAglycone:
COP(=O)([O-])OCC(N)Cc1ccc(O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 495.41 | Num_heavy_atoms: | 34 |
| TPSA: | 224.15 | 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 |
AD24705
Formula: C10H15O5NP
Smiles:
COP(=O)([O-])OCC(N)Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 260.21 | Num_heavy_atoms: | 17 |
| TPSA: | 104.84 | NumAromaticRings: | 1 |
