Glycoside
GD031573
Name:
4-(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:
C19H30O8Smiles:
CC(=O)C=C[C@@]12O[C@H](CC1(C)C)C[C@]2(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)C=CC12OC(CC1(C)C)CC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD20327
Formula: C13H20O3
Smiles:
CC(=O)C=CC12OC(CC1(C)C)CC2(C)O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
