Glycoside
GD087754
Name:
NoneFormula:
C12H17O10NF2S2Smiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(F)c(F)c1Aglycone:
COS(O)(O)O.NS(=O)(=O)c1ccc(F)c(F)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.4 | Num_heavy_atoms: | 27 |
| TPSA: | 186.01 | 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 |
AD30814
Formula: C6H5O2NF2S
Smiles:
NS(=O)(=O)c1ccc(F)c(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.17 | Num_heavy_atoms: | 12 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
