Glycoside
GD039272
Name:
8-oxo-adenosine-5'-triphosphateFormula:
C10H16O14N5P3Smiles:
Nc1ncnc2c1[nH]c(=O)n2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.18 | Num_heavy_atoms: | 32 |
| TPSA: | 299.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD16559
Formula: C5H5ON5
Smiles:
Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.13 | Num_heavy_atoms: | 11 |
| TPSA: | 100.45 | NumAromaticRings: | 2 |
