Glycoside
GD039047
Name:
5-[(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{h}-pyrimidine-2,4-dioneFormula:
C9H12O6N2Smiles:
O=c1[nH]cc([C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.2 | Num_heavy_atoms: | 17 |
| TPSA: | 135.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
