Glycoside
GD150285
Name:
[3,4,5-tris(acetyloxy)-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl acetateFormula:
C24H30O11Smiles:
CC(=O)CCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
CC(=O)CCc1ccc(O)cc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 494.49 | Num_heavy_atoms: | 35 |
| TPSA: | 140.73 | 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 |
AD06762
Formula: C10H12O2
Smiles:
CC(=O)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
