Glycoside
GD034109
Name:
NoneFormula:
C12H16O7N2SSmiles:
NS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
NC(=O)c1ccc(S(N)(=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.33 | Num_heavy_atoms: | 22 |
| TPSA: | 159.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD21669
Formula: C7H8O3N2S
Smiles:
NC(=O)c1ccc(S(N)(=O)=O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 200.22 | Num_heavy_atoms: | 13 |
| TPSA: | 103.25 | NumAromaticRings: | 1 |
