Glycoside
GD008611
Name:
NoneFormula:
C13H16O5N5FSmiles:
Nc1ncnc2c1ncn2C1O[C@H](CC(=O)OCCF)[C@H](O)[C@H]1OAglycone:
CC(=O)OCCF.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 341.3 | Num_heavy_atoms: | 24 |
| TPSA: | 145.61 | 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 |
AD06853
Formula: C4H7O2F
Smiles:
CC(=O)OCCF| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 106.1 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
