Glycoside
GD038427
Name:
3-[1-(4-bromophenyl)-1h-1,2,3-triazol-4-yl]-1-[5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amineFormula:
C18H20O7N8PBrSmiles:
Nc1ncnc2c1c(-c1cn(-c3ccc(Br)cc3)nn1)nn2[C@H]1O[C@H](CO[PH](O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O.Nc1ncnc2c1C(c1cn(-c3ccc(Br)cc3)nn1)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 571.29 | Num_heavy_atoms: | 35 |
| TPSA: | 219.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD24016
Formula: C13H8N8Br
Smiles:
Nc1ncnc2c1C(c1cn(-c3ccc(Br)cc3)nn1)=N[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 356.17 | Num_heavy_atoms: | 22 |
| TPSA: | 108.97 | NumAromaticRings: | 3 |
