Glycoside
GD092521
Name:
NoneFormula:
C22H22O10Smiles:
COc1cc2oc(-c3ccccc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c-2c(=O)c1Aglycone:
COc1cc2oc(-c3ccccc3O)cc(O)c-2c(=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 159.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD40342
Formula: C16H12O5
Smiles:
COc1cc2oc(-c3ccccc3O)cc(O)c-2c(=O)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 1 |
