Glycoside
GD128117
Name:
Jaslanceoside EFormula:
C26H30O15Smiles:
COC(=O)CC1C(C(=O)O)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCOC(=O)C=Cc1ccc(O)c(O)c1Aglycone:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 238.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD51897
Formula: C20H20O10
Smiles:
COC(=O)CC1C(C(=O)O)=COC(O)C1=CCOC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.37 | Num_heavy_atoms: | 30 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
