Glycoside
GD013745
Name:
NoneFormula:
C22H26O10Smiles:
COc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2O)cc1Aglycone:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD10211
Formula: C16H16O5
Smiles:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
