Glycoside
GD134327
Name:
Quercetin 5,7,3',4'-Tetramethyl Ether 3-RutinosideFormula:
C31H38O16Smiles:
COc1cc(OC)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(-c3ccc(OC)c(OC)c3)oc2c1Aglycone:
COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 666.63 | Num_heavy_atoms: | 47 |
| TPSA: | 225.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD14696
Formula: C19H18O7
Smiles:
COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
