Glycoside
GD031716
Name:
NoneFormula:
C10H14O7N3FSSmiles:
CS(=O)(=O)O[C@@H]1[C@H](CO)O[C@H](n2cc(F)c(N)nc2=O)[C@H]1OAglycone:
CS(=O)(=O)O.Nc1nc(=O)[nH]cc1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.3 | Num_heavy_atoms: | 22 |
| TPSA: | 153.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD03270
Formula: C4H4ON3F
Smiles:
Nc1nc(=O)[nH]cc1F| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.09 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
