Glycoside
GD040190
Name:
2-azanyl-9-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{h}-purin-6-oneFormula:
C9H12O7N5PSmiles:
Nc1nc2c(ncn2[C@H]2OC[C@H](O[PH](=O)(=O)O)[C@@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=[PH](=O)(O)OSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.2 | Num_heavy_atoms: | 22 |
| TPSA: | 182.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24688
Formula: H3O4P
Smiles:
O=[PH](=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
