Glycoside
GD023255
Name:
4-(2,2,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-oneFormula:
C19H32O7Smiles:
CC(=O)C=C[C@@H]1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC1(C)CAglycone:
CC(=O)C=CC1C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.46 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD15661
Formula: C13H22O2
Smiles:
CC(=O)C=CC1C(C)CC(O)CC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
