Glycoside
GD038310
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-methyl-2-oxidanyl-propanoateFormula:
C14H20O9N5PSmiles:
CC(C)(O)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(C)(C)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.31 | Num_heavy_atoms: | 29 |
| TPSA: | 212.37 | 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 |
AD23961
Formula: C5H11O6P
Smiles:
COP(=O)(O)OC(=O)C(C)(C)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.11 | Num_heavy_atoms: | 12 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
