Glycoside
GD029368
Name:
SECOLOGANIN DIMETHYL ACETALFormula:
C19H30O11Smiles:
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(OC)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(OC)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.44 | Num_heavy_atoms: | 30 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD19107
Formula: C13H20O6
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(OC)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
