Glycoside
GD158225
Name:
8-Hydroxyluteolin 4'-Methyl Ether 7-(6'''-Acetylallosyl)(1->2)(6''-Acetylglucoside)Formula:
C32H36O19Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)c(O)c3o2)cc1OAglycone:
COC(C)=O.COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1OSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 724.62 | Num_heavy_atoms: | 51 |
| TPSA: | 290.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47700
Formula: C16H12O7
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
