Glycoside
GD081141
Name:
NoneFormula:
C16H22O8N2SSmiles:
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ccc21Aglycone:
CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.43 | Num_heavy_atoms: | 27 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD36591
Formula: C10H12O3N2S
Smiles:
CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.28 | Num_heavy_atoms: | 16 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
