Glycoside
GD085084
Name:
5,5-dimethyl-3-oxo-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)cyclohex-1-ene-1-carboxylic acidFormula:
C19H30O9Smiles:
C[C@@H](CC[C@H]1C(C(=O)O)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)CCC1C(C(=O)O)=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD38079
Formula: C13H20O4
Smiles:
CC(O)CCC1C(C(=O)O)=CC(=O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
