Glycoside
GD038098
Name:
[[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphateFormula:
C9H17O18N2P4Smiles:
O=P(O)(O)Oc1cc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(O)Oc1cc[nH+]c(O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 565.13 | Num_heavy_atoms: | 33 |
| TPSA: | 313.27 | 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 |
AD23854
Formula: C4H6O5N2P
Smiles:
O=P(O)(O)Oc1cc[nH+]c(O)n1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 193.08 | Num_heavy_atoms: | 12 |
| TPSA: | 114.02 | NumAromaticRings: | 1 |
