Glycoside
GD092558
Name:
3-hydroxy-3-methyl-5-oxo-5-{[3,4,5-trihydroxy-6-(octan-3-yloxy)oxan-2-yl]methoxy}pentanoic acidFormula:
C20H36O10Smiles:
CCCCC[C@@H](CC)O[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(O)CC.COC(=O)CC(C)(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 13 |
| MolWt: | 436.5 | Num_heavy_atoms: | 30 |
| 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 |
AD40346
Formula: C8H18O
Smiles:
CCCCCC(O)CC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
