Glycoside
GD038395
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{s})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acidFormula:
C14H21O8N6PSmiles:
COC(=O)[C@@H](C)NP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COC(=O)C(C)NP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.33 | Num_heavy_atoms: | 29 |
| TPSA: | 204.17 | 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 |
AD24009
Formula: C5H12O5NP
Smiles:
COC(=O)C(C)NP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 197.13 | Num_heavy_atoms: | 12 |
| TPSA: | 84.86 | NumAromaticRings: | 0 |
