Glycoside
GD005488
Name:
NoneFormula:
C19H20O9Smiles:
CC(=O)c1ccc(O[C@@H]2O[C@H](COC(=O)c3ccco3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)c1ccc(O)cc1.COC(=O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.36 | Num_heavy_atoms: | 28 |
| TPSA: | 135.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04664
Formula: C6H6O3
Smiles:
COC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 39.44 | NumAromaticRings: | 1 |
