Glycoside
GD107731
Name:
3,4,5-tris(acetyloxy)-6-{[(4-methylbenzenesulfonyl)oxy]methyl}oxan-2-yl acetateFormula:
C21H26O12SSmiles:
CC(=O)O[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 502.49 | Num_heavy_atoms: | 34 |
| TPSA: | 157.8 | 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 |
