Glycoside
GD106262
Name:
Jaslanceoside BFormula:
C26H30O14Smiles:
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/c1ccc(O)cc1Aglycone:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD44135
Formula: C20H20O9
Smiles:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.37 | Num_heavy_atoms: | 29 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
