Glycoside
GD038198
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acidFormula:
C11H20O18N5P5Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 665.17 | Num_heavy_atoms: | 39 |
| TPSA: | 362.96 | 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 |
AD23899
Formula: C2H11O15P5
Smiles:
COP(=O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 15 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 429.97 | Num_heavy_atoms: | 22 |
| TPSA: | 243.65 | NumAromaticRings: | 0 |
