Glycoside
GD038548
Name:
5'-o-{(s)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosineFormula:
C19H24O8N5PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)OCCCc2ccc(O)cc2)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OCCCc1ccc(O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 481.4 | Num_heavy_atoms: | 33 |
| TPSA: | 195.3 | 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 |
AD24050
Formula: C10H15O5P
Smiles:
COP(=O)(O)OCCCc1ccc(O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 246.2 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
