Glycoside
GD084386
Name:
NoneFormula:
C18H19O5N5F2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@H](O)c4c(F)cccc4F)ncnc32)[C@H](O)[C@@H]1OAglycone:
OC(CNc1ncnc2c1N=C[N]2)c1c(F)cccc1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.38 | Num_heavy_atoms: | 30 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD37676
Formula: C13H10ON5F2
Smiles:
OC(CNc1ncnc2c1N=C[N]2)c1c(F)cccc1F| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.25 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
