Glycoside
GD016201
Name:
Quinofuracin DFormula:
C26H28O13Smiles:
CC(=O)CCC[C@H](O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=OAglycone:
CC(=O)CCCC(O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 231.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD11697
Formula: C20H18O8
Smiles:
CC(=O)CCCC(O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 152.36 | NumAromaticRings: | 2 |
