Glycoside
GD076015
Name:
SecologanosideFormula:
C16H22O11Smiles:
C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)O)[C@@H]1CC(=O)OAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.34 | Num_heavy_atoms: | 27 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD20061
Formula: C10H12O6
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
