Glycoside
GD039977
Name:
[(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acidFormula:
C10H13O7N3F3PSmiles:
Nc1ccn([C@H]2O[C@H](CO[PH](=O)O)[C@H](O)[C@@H]2OC(F)(F)F)c(=O)n1Aglycone:
CO[PH](=O)O.Nc1cc[nH]c(=O)n1.OC(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.2 | Num_heavy_atoms: | 24 |
| TPSA: | 146.13 | 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 |
AD02267
Formula: CH5O3P
Smiles:
CO[PH](=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD24621
Formula: CHOF3
Smiles:
OC(F)(F)F| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.01 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
