Glycoside
GD106261
Name:
JasminosideFormula:
C26H30O13Smiles:
COC(=O)C[C@@H]1C(C(=O)O)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C1=C\COC(=O)/C=C/c1ccccc1Aglycone:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD44134
Formula: C20H20O8
Smiles:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccccc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
