Glycoside
GD018490
Name:
Gluco-ObtusifolinFormula:
C22H22O10Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(C)cc2c1C(=O)c1c(O)cccc1C2=OAglycone:
COc1c(O)c(C)cc2c1C(=O)c1c(O)cccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD13042
Formula: C16H12O5
Smiles:
COc1c(O)c(C)cc2c1C(=O)c1c(O)cccc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
