Glycoside
GD130686
Name:
Aiorsellinate AFormula:
C20H30O9Smiles:
COc1c(CC=C(C)C)c(O)cc(C)c1C(=O)OC(C(O)CO)C(O)C(O)COAglycone:
COc1c(C=O)c(C)cc(O)c1CC=C(C)CSugarmoiety:
OCC(O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 414.45 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD46975
Formula: C14H18O3
Smiles:
COc1c(C=O)c(C)cc(O)c1CC=C(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.29 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
