Glycoside
GD023852
Name:
Pedalin Pedalitin 6-O-β -GlucopyranosideFormula:
C22H22O12Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD06918
Formula: C16H12O7
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
