Glycoside
GD061694
Name:
(4,5,6-trihydroxy-3-methoxyoxan-2-yl)methyl 4-methylbenzene-1-sulfonateFormula:
C14H20O8SSmiles:
CO[C@H]1[C@@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@H](O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
COC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.37 | Num_heavy_atoms: | 23 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
