Glycoside
GD039594
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C11H18O8N3PSmiles:
CN(C)c1ccn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)n1Aglycone:
CN(C)c1cc[nH]c(=O)n1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.25 | Num_heavy_atoms: | 23 |
| TPSA: | 154.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23303
Formula: C6H9ON3
Smiles:
CN(C)c1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 48.99 | NumAromaticRings: | 1 |
