Glycoside
GD037069
Name:
NoneFormula:
C14H13O4N4F3Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2c(C(F)(F)F)cc3c(N)ncnc32)[C@H]1OAglycone:
Nc1ncnc2c1C=C(C(F)(F)F)[N]2Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 358.28 | Num_heavy_atoms: | 25 |
| TPSA: | 126.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD23376
Formula: C7H4N4F3
Smiles:
Nc1ncnc2c1C=C(C(F)(F)F)[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 201.13 | Num_heavy_atoms: | 14 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
