Glycoside
GD011094
Name:
Quinofuracin CFormula:
C26H30O12Smiles:
CCCCC[C@H](O)c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=OAglycone:
CCCCCC(O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 214.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD07156
Formula: C20H20O7
Smiles:
CCCCCC(O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
