Glycoside
GD004740
Name:
Picroside IiiFormula:
C25H30O13Smiles:
COc1cc(C=CC(=O)O[C@H]2[C@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3[C@]3(CO)O[C@@H]23)ccc1OAglycone:
COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 197.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD04098
Formula: C19H20O8
Smiles:
COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 1 |
