Glycoside
GD020775
Name:
NoneFormula:
C22H22O8Smiles:
C#CCOc1ccc(C(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
C#CCOc1ccc(C(=O)c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD14291
Formula: C16H12O3
Smiles:
C#CCOc1ccc(C(=O)c2ccc(O)cc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 252.27 | Num_heavy_atoms: | 19 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
