Glycoside
GD013129
Name:
Zearalenone-4-beta-D-glucopyranosideFormula:
C24H32O10Smiles:
C[C@@H]1CCCC(=O)CCCC=Cc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c2C(=O)O1Aglycone:
CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 480.51 | Num_heavy_atoms: | 34 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD09839
Formula: C18H22O5
Smiles:
CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 318.37 | Num_heavy_atoms: | 23 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
