Glycoside
GD132798
Name:
4-{2,6,6-trimethyl-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]cyclohex-1-en-1-yl}butan-2-oneFormula:
C25H42O11Smiles:
CC(=O)CCC1=C(C)CC(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)CC1(C)CAglycone:
CC(=O)CCC1=C(C)CC(O)CC1(C)CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 518.6 | Num_heavy_atoms: | 36 |
| TPSA: | 175.37 | 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 |
