Glycoside
GD142776
Name:
butyl 3-hydroxy-4-{hydroxy[5-(hydroxymethyl)furan-2-yl]methoxy}-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C16H24O9Smiles:
CCCCOC(=O)C1OC(CO)C(OC(O)c2ccc(CO)o2)C1OAglycone:
CCCCOC=O.OCc1ccc(C(O)O)o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 360.36 | Num_heavy_atoms: | 25 |
| TPSA: | 138.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD01542
Formula: C5H10O2
Smiles:
CCCCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD57451
Formula: C6H8O4
Smiles:
OCc1ccc(C(O)O)o1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 144.13 | Num_heavy_atoms: | 10 |
| TPSA: | 73.83 | NumAromaticRings: | 1 |
