Glycoside
GD040036
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~{r},3~{r},4~{r})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphateFormula:
C16H22O12N5P2ClSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2OC[C@H](Cl)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1OCC(Cl)C1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 561.77 | Num_heavy_atoms: | 35 |
| TPSA: | 251.06 | 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 |
AD24639
Formula: C7H13O9P2Cl
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OCC(Cl)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.56 | Num_heavy_atoms: | 18 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
