Glycoside
GD138626
Name:
[3,4,5-tris(acetyloxy)-6-{4-[3-(acetyloxy)prop-1-en-1-yl]phenoxy}oxan-2-yl]methyl acetateFormula:
C25H30O12Smiles:
CC(=O)OCC=Cc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
CC(=O)OCC=Cc1ccc(O)cc1.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: | 0.48 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 522.5 | 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 |
AD55937
Formula: C11H12O3
Smiles:
CC(=O)OCC=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
