Glycoside
GD093751
Name:
NoneFormula:
C13H16O10NF2ClS2Smiles:
O=S(=O)(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cc(F)c(F)cc1ClAglycone:
COS(O)(O)O.NS(=O)(=O)c1cc(F)c(F)cc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.84 | Num_heavy_atoms: | 28 |
| 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 |
AD33567
Formula: C7H4O2NF2ClS
Smiles:
NS(=O)(=O)c1cc(F)c(F)cc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 227.62 | Num_heavy_atoms: | 13 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
