Glycoside
GD039342
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphateFormula:
C11H18O11N5P2Smiles:
Cn1c[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
COP(=O)(O)OP(=O)(O)O.Cn1c[nH+]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.24 | Num_heavy_atoms: | 29 |
| TPSA: | 243.56 | 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 |
AD14176
Formula: C6H8ON5
Smiles:
Cn1c[nH+]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.84 | NumAromaticRings: | 2 |
