Glycoside
GD036512
Name:
NoneFormula:
C16H21O9NSSmiles:
NS(=O)(=O)Oc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)C=Cc1ccc(OS(N)(=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 403.41 | Num_heavy_atoms: | 27 |
| TPSA: | 176.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD23018
Formula: C10H11O4NS
Smiles:
CC(=O)C=Cc1ccc(OS(N)(=O)=O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 241.27 | Num_heavy_atoms: | 16 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
