Glycoside
GD098595
Name:
NoneFormula:
C22H26O9N2SSmiles:
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)ccc21Aglycone:
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.52 | Num_heavy_atoms: | 34 |
| TPSA: | 165.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD41930
Formula: C16H16O4N2S
Smiles:
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.38 | Num_heavy_atoms: | 23 |
| TPSA: | 86.71 | NumAromaticRings: | 2 |
