Glycoside
GD016802
Name:
NoneFormula:
C13H19O6NSSmiles:
CCc1ccc(C(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1Aglycone:
CCc1ccc(C(N)=O)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.36 | Num_heavy_atoms: | 21 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD12052
Formula: C7H9ONS
Smiles:
CCc1ccc(C(N)=O)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.22 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
