Glycoside
GD039648
Name:
[[(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphateFormula:
C12H20O14N4P3Smiles:
C[n+]1cn([C@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c2cc(N)[nH]c(=O)c21Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.C[N+]1=C[N]c2cc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 537.23 | Num_heavy_atoms: | 33 |
| TPSA: | 277.2 | 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 |
AD24488
Formula: C7H8ON4
Smiles:
C[N+]1=C[N]c2cc(N)[nH]c(=O)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.17 | Num_heavy_atoms: | 12 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
