Glycoside
GD140489
Name:
(2-oxo-8-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-6-yl)methyl acetateFormula:
C26H30O15Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C1C32Aglycone:
CC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 185.49 | NumAromaticRings: | 0 |
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 |
AD11806
Formula: C12H12O6
Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.22 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
