Glycoside
GD008799
Name:
NoneFormula:
C20H20O5N4F2Smiles:
CC(=O)CNc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@H](O)[C@H]1OAglycone:
CC(=O)CNc1ncnc2c1C=C[N]2.OCc1ccc(F)c(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 129.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD06981
Formula: C9H9ON4
Smiles:
CC(=O)CNc1ncnc2c1C=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.2 | Num_heavy_atoms: | 14 |
| TPSA: | 68.98 | NumAromaticRings: | 1 |
AD06982
Formula: C7H6OF2
Smiles:
OCc1ccc(F)c(F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.12 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
