Glycoside
GD131899
Name:
4-butyl 1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-2-(2-methylpropyl)butanedioateFormula:
C25H38O11Smiles:
CCCCOC(=O)CC(O)(CC(C)C)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CCCCOC(=O)CC(O)(CC(C)C)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 13 |
| MolWt: | 514.57 | Num_heavy_atoms: | 36 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD53413
Formula: C19H28O6
Smiles:
CCCCOC(=O)CC(O)(CC(C)C)C(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 352.43 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
