Glycoside
GD002140
Name:
4-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl)but-3-en-2-oneFormula:
C19H30O7Smiles:
CC(=O)C=C[C@@H]1C(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: | 0.74 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.44 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD02074
Formula: C13H20O2
Smiles:
CC(=O)C=CC1C(C)=CC(O)CC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
