Glycoside
GD007522
Name:
BALAPIRAVIR HYDROCHLORIDEFormula:
C21H30O8N6Smiles:
CC(C)C(=O)OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)CAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.COC(=O)C(C)C.Nc1cc[nH]c(=O)n1Sugarmoiety:
[N-]=[N+]=NC1(CO)OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.51 | Num_heavy_atoms: | 35 |
| TPSA: | 197.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
