Glycoside
GD155852
Name:
Quercetin 3'-Glucoside-7-AcetateFormula:
C23H22O13Smiles:
CC(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC4OC(CO)C(O)C(O)C4O)c3)oc2c1Aglycone:
CC(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.42 | Num_heavy_atoms: | 36 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD61769
Formula: C17H12O8
Smiles:
CC(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 137.43 | NumAromaticRings: | 3 |
