Glycoside
GD008396
Name:
1-(Alpha-Methyl-4-(2-Methylpropyl)Benzeneacetate)-Beta-D-Glucopyranuronic AcidFormula:
C19H26O8Smiles:
CC(C)Cc1ccc(C(C)C(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)Cc1ccc(C(C)C(=O)O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.41 | Num_heavy_atoms: | 27 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD06707
Formula: C13H18O2
Smiles:
CC(C)Cc1ccc(C(C)C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.28 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
