Glycoside
GD007236
Name:
TETRALONE-4-O-BETA-D-GLUCOPYRANOSIDEFormula:
C16H20O7Smiles:
O=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
O=C1CCC(O)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.33 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD05906
Formula: C10H10O2
Smiles:
O=C1CCC(O)c2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
