Glycoside
GD037368
Name:
NoneFormula:
C12H14O4N6F2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(F)F)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCC(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.28 | Num_heavy_atoms: | 24 |
| 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 |
AD23546
Formula: C3H5ONF2
Smiles:
O=CNCC(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 109.08 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
