Glycoside
GD076660
Name:
AloesinFormula:
C19H22O9Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 157.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD06372
Formula: C13H12O4
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
