Glycoside
GD026389
Name:
Secologanoside Dimethyl EsterFormula:
C18H26O11Smiles:
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)OC)[C@H]1CC(=O)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.4 | Num_heavy_atoms: | 29 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD17399
Formula: C12H16O6
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
