Glycoside
GD037994
Name:
2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranoseFormula:
C16H19O9NSSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)OCC1=Cc2ccccc2S1(=O)=OAglycone:
NC(=O)OCC1=Cc2ccccc2S1(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.39 | Num_heavy_atoms: | 27 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD23818
Formula: C10H9O4NS
Smiles:
NC(=O)OCC1=Cc2ccccc2S1(=O)=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.25 | Num_heavy_atoms: | 16 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
