Glycoside
GD038326
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoateFormula:
C14H21O9N6PSmiles:
C[C@@H](O)[C@@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)C(C)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.33 | Num_heavy_atoms: | 30 |
| TPSA: | 238.39 | NumAromaticRings: | 2 |
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 |
AD23969
Formula: C5H12O6NP
Smiles:
COP(=O)(O)OC(=O)C(N)C(C)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 213.13 | Num_heavy_atoms: | 13 |
| TPSA: | 119.08 | NumAromaticRings: | 0 |
