Glycoside
GD039217
Name:
5-chloro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dioneFormula:
C11H13O7N2ClSmiles:
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1ClAglycone:
O=c1[nH]cc(Cl)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.67 | Num_heavy_atoms: | 20 |
| TPSA: | 145.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD03221
Formula: C5H3O2N2Cl
Smiles:
O=c1[nH]cc(Cl)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.53 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
