Glycoside
GD116559
Name:
4-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)butan-2-oneFormula:
C19H32O7Smiles:
CC(=O)CCC1=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)CAglycone:
CC(=O)CCC1=C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.46 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46306
Formula: C13H22O2
Smiles:
CC(=O)CCC1=C(C)CC(O)CC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
