Glycoside
GD009070
Name:
Quinofuracin BFormula:
C28H32O13Smiles:
CCCCC[C@H](O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1OC(C)=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=OAglycone:
CCCCCC(O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
CC(=O)OC1C(O)OC(C(O)CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 220.51 | 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 |
