Glycoside
GD103736
Name:
NoneFormula:
C21H25O8NSSmiles:
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1NC(=O)c1ccccc1Aglycone:
COS(=O)(=O)c1ccc(C)cc1.NC(=O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 131.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
