Glycoside
GD124343
Name:
[3,4,5-tris(acetyloxy)-6-{2-hydroxy-3-[(4-methylbenzenesulfonyl)oxy]propoxy}oxan-2-yl]methyl acetateFormula:
C24H32O14SSmiles:
CC(=O)OCC1OC(OCC(O)COS(=O)(=O)c2ccc(C)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1ccc(S(=O)(=O)OCC(O)CO)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 576.57 | Num_heavy_atoms: | 39 |
| TPSA: | 187.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50226
Formula: C10H14O5S
Smiles:
Cc1ccc(S(=O)(=O)OCC(O)CO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.28 | Num_heavy_atoms: | 16 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
