Glycoside

GD124951
Name:
2-hydroxy-4,4,6,6-tetramethyl-2-(3-methylbutyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,3-dioneFormula:
C21H36O9Smiles:
CC(C)CCC1(O)C(=O)C(C)(C)C(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1=OAglycone:
CC(C)CCC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.9 |
AlogP: | -0.46 | Num_rotatable_bonds: | 6 |
MolWt: | 432.51 | Num_heavy_atoms: | 30 |
TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50521
Formula: C15H26O4
Smiles:
CC(C)CCC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1=OHBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.87 |
AlogP: | 1.72 | Num_rotatable_bonds: | 3 |
MolWt: | 270.37 | Num_heavy_atoms: | 19 |
TPSA: | 74.6 | NumAromaticRings: | 0 |