Glycoside
GD082951
Name:
AloeninFormula:
C19H22O10Smiles:
COc1cc(-c2c(C)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc(=O)c1Aglycone:
COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.38 | Num_heavy_atoms: | 29 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD10716
Formula: C13H12O5
Smiles:
COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
