Glycoside
GD137396
Name:
2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H30O7Smiles:
CC1=C(C#CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CC(O)C1Aglycone:
CC1=C(C#CC(C)O)C(C)(C)CC(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 370.44 | Num_heavy_atoms: | 26 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD55511
Formula: C13H20O2
Smiles:
CC1=C(C#CC(C)O)C(C)(C)CC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
