Glycoside
GD038355
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoateFormula:
C17H16O7N5FSSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COC(=O)c2cccc(S(=O)(=O)F)c2)[C@@H](O)[C@H]1OAglycone:
COC(=O)c1cccc(S(=O)(=O)F)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.41 | Num_heavy_atoms: | 31 |
| TPSA: | 179.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23982
Formula: C8H7O4FS
Smiles:
COC(=O)c1cccc(S(=O)(=O)F)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.2 | Num_heavy_atoms: | 14 |
| TPSA: | 60.44 | NumAromaticRings: | 1 |
