Glycoside
GD002997
Name:
NoneFormula:
C22H23O8ClSmiles:
COc1ccc(-c2ccc(C=CC(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)o2)cc1ClAglycone:
COc1ccc(-c2ccc(C=CC(C)=O)o2)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.86 | Num_heavy_atoms: | 30 |
| TPSA: | 129.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD02779
Formula: C16H13O3Cl
Smiles:
COc1ccc(-c2ccc(C=CC(C)=O)o2)cc1Cl| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.72 | Num_heavy_atoms: | 19 |
| TPSA: | 39.44 | NumAromaticRings: | 2 |
