Glycoside
GD080217
Name:
NoneFormula:
C12H16O9N2F2SSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cc(F)ncc1FAglycone:
COS(O)(O)O.NC(=O)c1cc(F)ncc1FSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.33 | Num_heavy_atoms: | 26 |
| TPSA: | 181.83 | 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 |
AD26050
Formula: C6H4ON2F2
Smiles:
NC(=O)c1cc(F)ncc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.11 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
