Glycoside
GD076036
Name:
SecologaninFormula:
C17H24O10Smiles:
C=C[C@@H]1[C@H](CC=O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.37 | Num_heavy_atoms: | 27 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD06420
Formula: C11H14O5
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
