Glycoside
GD038175
Name:
2'-o-methyl-5'-o-thiophosphonoadenosineFormula:
C11H16O6N5PSSmiles:
CO[C@@H]1[C@@H](O)[C@@H](COP(=O)(O)S)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
COP(=O)(O)S.Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.32 | Num_heavy_atoms: | 24 |
| TPSA: | 154.84 | 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 |
AD00655
Formula: CH5O3PS
Smiles:
COP(=O)(O)S| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.09 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
