Glycoside
GD028778
Name:
NoneFormula:
C18H20O6Smiles:
C#Cc1ccccc1C=CC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C#Cc1ccccc1C=CC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD18764
Formula: C12H10O
Smiles:
C#Cc1ccccc1C=CC(C)=O| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.21 | Num_heavy_atoms: | 13 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
