Glycoside
GD040177
Name:
4-azanyl-1-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-oneFormula:
C8H12O7N3PSmiles:
Nc1ccn([C@H]2OC[C@@H](O[PH](=O)(=O)O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=[PH](=O)(O)OSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.17 | Num_heavy_atoms: | 19 |
| TPSA: | 153.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | 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 |
