Glycoside
GD038812
Name:
5-ethynyl-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dioneFormula:
C12H14O7N2Smiles:
C#Cc1cn([C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(=O)[nH]c1=OAglycone:
C#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.25 | Num_heavy_atoms: | 21 |
| TPSA: | 145.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD01629
Formula: C6H4O2N2
Smiles:
C#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.11 | Num_heavy_atoms: | 10 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
