Glycoside
GD115146
Name:
[3,4,5-tris(acetyloxy)-6-{[1-(acetyloxy)-1-phenylpropan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C25H32O12Smiles:
CC(=O)OCC1OC(OC(C)C(OC(C)=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC(c1ccccc1)C(C)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 149.96 | 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 |
AD45496
Formula: C11H14O3
Smiles:
CC(=O)OC(c1ccccc1)C(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
