Glycoside
GD145087
Name:
benzyl 2,4,5-tris(acetyloxy)-6-[1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylateFormula:
C28H34O15Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OC(OC(C)=O)(C(=O)OCc2ccccc2)CC(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OCC(COC(C)=O)OC(C)=O.O=COCc1ccccc1Sugarmoiety:
CC(=O)OC1CC(O)(OC(C)=O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 193.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD00925
Formula: C8H8O2
Smiles:
O=COCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD43987
Formula: C9H14O6
Smiles:
CC(=O)OCC(COC(C)=O)OC(C)=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 218.2 | Num_heavy_atoms: | 15 |
| TPSA: | 78.9 | NumAromaticRings: | 0 |
