Glycoside
GD040252
Name:
(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrileFormula:
C12H13O4N5Smiles:
N#C[C@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1ncnn2cccc12Sugarmoiety:
N#CC1(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.27 | Num_heavy_atoms: | 21 |
| TPSA: | 149.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD05072
Formula: C6H6N4
Smiles:
Nc1ncnn2cccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
