Glycoside
GD063824
Name:
NoneFormula:
C10H16O8N3FSSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2ccc(F)nn2)[C@H]1OAglycone:
COS(O)(O)O.Nc1ccc(F)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.32 | Num_heavy_atoms: | 23 |
| TPSA: | 177.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD30701
Formula: C4H4N3F
Smiles:
Nc1ccc(F)nn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.1 | Num_heavy_atoms: | 8 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
