Glycoside
GD067191
Name:
NoneFormula:
C16H20O9Smiles:
COc1cc(/C=C/C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)ccc1OAglycone:
COc1cc(C=CC=O)ccc1OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 356.33 | Num_heavy_atoms: | 25 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
