Glycoside
GD008299
Name:
NoneFormula:
C11H15O9N5F2P2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)C(F)(F)P(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.21 | Num_heavy_atoms: | 29 |
| TPSA: | 223.37 | 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 |
AD06641
Formula: C2H6O6F2P2
Smiles:
COP(=O)(O)C(F)(F)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.01 | Num_heavy_atoms: | 12 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
