Glycoside
GD021444
Name:
NoneFormula:
C19H20O8SSmiles:
CC(=O)c1ccc(O[C@@H]2O[C@H](COC(=O)c3cccs3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)c1ccc(O)cc1.COC(=O)c1cccs1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.43 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD14668
Formula: C6H6O2S
Smiles:
COC(=O)c1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.18 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
