Glycoside
GD026488
Name:
4-(1,4-dihydroxy-2,2,6-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-oneFormula:
C19H32O9Smiles:
CC(=O)C=C[C@]1(O)[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CC1(C)CAglycone:
CC(=O)C=CC1(O)C(C)C(O)C(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.46 | Num_heavy_atoms: | 28 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD17453
Formula: C13H22O4
Smiles:
CC(=O)C=CC1(O)C(C)C(O)C(O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.31 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
