Glycoside
GD082897
Name:
NoneFormula:
C16H23O10NSSmiles:
CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CCOc1ccc(C(=O)OC)cc1S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 421.42 | Num_heavy_atoms: | 28 |
| TPSA: | 179.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD37012
Formula: C10H13O5NS
Smiles:
CCOc1ccc(C(=O)OC)cc1S(N)(=O)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.28 | Num_heavy_atoms: | 17 |
| TPSA: | 95.69 | NumAromaticRings: | 1 |
