Glycoside
GD007291
Name:
NoneFormula:
C13H15O4N6F3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(F)(F)F)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCC(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.29 | Num_heavy_atoms: | 26 |
| TPSA: | 148.41 | 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 |
AD05946
Formula: C4H6ONF3
Smiles:
O=CNCCC(F)(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 141.09 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
