Glycoside
GD031009
Name:
NoneFormula:
C20H21O6ClSmiles:
Cc1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
Cc1cccc(-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.82 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD20028
Formula: C14H11OCl
Smiles:
Cc1cccc(-c2ccc(O)c(Cl)c2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.68 | Num_heavy_atoms: | 15 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
