Glycoside
GD030801
Name:
4-(3-hydroxy-2,2,6-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[2.2.1]heptan-1-yl)but-3-en-2-oneFormula:
C19H30O9Smiles:
CC(=O)C=C[C@@]12O[C@H](C[C@]1(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)C2(C)CAglycone:
CC(=O)C=CC12OC(CC1(C)O)C(O)C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD19923
Formula: C13H20O4
Smiles:
CC(=O)C=CC12OC(CC1(C)O)C(O)C2(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
