Glycoside
GD039561
Name:
[(2~{r},3~{r},4~{r},5~{r})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphateFormula:
C12H18O9N3PSmiles:
CO[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1n1ccc(NC(C)=O)nc1=OAglycone:
CC(=O)Nc1cc[nH]c(=O)n1.COP(=O)(O)OSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 379.26 | Num_heavy_atoms: | 25 |
| TPSA: | 169.44 | 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 |
AD02279
Formula: C6H7O2N3
Smiles:
CC(=O)Nc1cc[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 74.85 | NumAromaticRings: | 1 |
