Glycoside
GD039169
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphateFormula:
C10H15O15N3FP3Smiles:
NC(=O)c1nc(F)cn([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c1=OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.NC(=O)c1nc(F)c[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.16 | Num_heavy_atoms: | 32 |
| TPSA: | 287.49 | NumAromaticRings: | 1 |
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 |
AD05056
Formula: C5H4O2N3F
Smiles:
NC(=O)c1nc(F)c[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.1 | Num_heavy_atoms: | 11 |
| TPSA: | 88.84 | NumAromaticRings: | 1 |
