Glycoside
GD131110
Name:
Quercetin 3-Methyl Ether 5-Glucoside-3'-SulfateFormula:
C22H22O15SSmiles:
COc1c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2c1=OAglycone:
COc1c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.47 | Num_heavy_atoms: | 38 |
| TPSA: | 242.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD53126
Formula: C16H12O10S
Smiles:
COc1c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.33 | Num_heavy_atoms: | 27 |
| TPSA: | 163.73 | NumAromaticRings: | 3 |
