Glycoside
GD138439
Name:
3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl benzoateFormula:
C18H20O9Smiles:
CC(=O)OCC1OC(OC(=O)c2ccccc2)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C(O)c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.35 | Num_heavy_atoms: | 27 |
| TPSA: | 114.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
