Glycoside
GD106185
Name:
NoneFormula:
C16H25O13NS4Smiles:
CO[C@H]1O[C@@H](COS(C)(=O)=O)[C@@H](OS(C)(=O)=O)[C@@H](OS(C)(=O)=O)[C@H]1NS(=O)(=O)c1ccccc1Aglycone:
COS(C)(=O)=O.CS(=O)(=O)O.CS(=O)(=O)O.NS(=O)(=O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 567.64 | Num_heavy_atoms: | 34 |
| TPSA: | 194.74 | 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 |
AD02567
Formula: C2H6O3S
Smiles:
COS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.13 | Num_heavy_atoms: | 6 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
AD26098
Formula: C6H7O2NS
Smiles:
NS(=O)(=O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.19 | Num_heavy_atoms: | 10 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
