Glycoside
GD118449
Name:
benzyl 4,5-bis(acetyloxy)-2-methoxy-6-[1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylateFormula:
C27H34O14Smiles:
COC1(C(=O)OCc2ccccc2)CC(OC(C)=O)C(OC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1Aglycone:
CC(=O)OCC(COC(C)=O)OC(C)=O.O=COCc1ccccc1Sugarmoiety:
COC1(O)CC(OC(C)=O)C(OC(C)=O)C(O)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 176.26 | 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 |
