Glycoside
GD038799
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphateFormula:
C10H16O10N6P2Smiles:
Nc1nc(N)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.22 | Num_heavy_atoms: | 28 |
| TPSA: | 258.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD01628
Formula: C5H5N6
Smiles:
Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.14 | Num_heavy_atoms: | 11 |
| TPSA: | 104.28 | NumAromaticRings: | 1 |
