Glycoside
GD005027
Name:
ADENOSINE PHOSPHONOACETIC ACIDFormula:
C12H16O8N5PSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COC(=O)CP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 389.26 | Num_heavy_atoms: | 26 |
| TPSA: | 203.14 | 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 |
AD01714
Formula: C3H7O5P
Smiles:
COC(=O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.06 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
