Glycoside
GD120179
Name:
Parkinsonin BFormula:
C23H24O11Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD48180
Formula: C17H14O6
Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
