Glycoside
GD135685
Name:
6-{[6,6'-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-2,5-dihydroxy-9-phenyl-1H-phenalen-1-oneFormula:
C31H32O14Smiles:
O=C1C(O)=Cc2cc(O)c(OC3(C4OC(CO)C(O)C(O)C4O)OC(CO)C(O)C(O)C3O)c3ccc(-c4ccccc4)c1c23Aglycone:
O=C1C(O)=Cc2cc(O)c(O)c3ccc(-c4ccccc4)c1c23Sugarmoiety:
OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 628.58 | Num_heavy_atoms: | 45 |
| TPSA: | 247.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD54863
Formula: C19H12O4
Smiles:
O=C1C(O)=Cc2cc(O)c(O)c3ccc(-c4ccccc4)c1c23| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.3 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 3 |
