Glycoside
GD019917
Name:
Bockioside BFormula:
C21H22O11Smiles:
O=C(C=Cc1ccc(O)cc1)OCc1occc(=O)c1O[C@@H]1OC(CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(C=Cc1ccc(O)cc1)OCc1occc(=O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 176.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD13826
Formula: C15H12O6
Smiles:
O=C(C=Cc1ccc(O)cc1)OCc1occc(=O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 96.97 | NumAromaticRings: | 2 |
