Glycoside
GD070887
Name:
4-(benzoyloxy)-6-methoxy-2-methyloxan-3-yl benzoateFormula:
C21H22O6Smiles:
CO[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](C)O1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.4 | Num_heavy_atoms: | 27 |
| TPSA: | 71.06 | NumAromaticRings: | 2 |
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 |
