Glycoside
GD125661
Name:
4,5-bis(acetyloxy)-2-[(methanesulfonyloxy)methyl]-6-{[3,4,5-tris(acetyloxy)-6-[(methanesulfonyloxy)methyl]oxan-2-yl]oxy}oxan-3-yl acetateFormula:
C26H38O21S2Smiles:
CC(=O)OC1C(COS(C)(=O)=O)OC(OC2OC(COS(C)(=O)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COS(C)(=O)=O.COS(C)(=O)=OSugarmoiety:
CC(=O)OC1C(O)OC(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 750.7 | Num_heavy_atoms: | 49 |
| TPSA: | 272.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD02567
Formula: C2H6O3S
Smiles:
COS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.13 | Num_heavy_atoms: | 6 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
