Glycoside
GD153559
Name:
1,5,5-trimethyl-6-(3-oxobut-1-en-1-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-2-oneFormula:
C19H28O9Smiles:
CC(=O)C=CC12OC1(C)C(=O)C(OC1OC(CO)C(O)C(O)C1O)CC2(C)CAglycone:
CC(=O)C=CC12OC1(C)C(=O)C(O)CC2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.42 | Num_heavy_atoms: | 28 |
| TPSA: | 146.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD61056
Formula: C13H18O4
Smiles:
CC(=O)C=CC12OC1(C)C(=O)C(O)CC2(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.28 | Num_heavy_atoms: | 17 |
| TPSA: | 66.9 | NumAromaticRings: | 0 |
