Glycoside
GD154184
Name:
linalyl-6'-o-(3''-hydroxy-3''-methylglutaroyl)-beta-d-glucopyranosideFormula:
C22H36O10Smiles:
C=CC(C)(CCC=C(C)C)OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C.COC(=O)CC(C)(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 12 |
| MolWt: | 460.52 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD10262
Formula: C10H18O
Smiles:
C=CC(C)(O)CCC=C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
