Glycoside
GD121627
Name:
5,7-dihydroxy-2-(4-{[6-(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C26H30O14Smiles:
O=C1CC(c2ccc(OC3(C4OCC(O)C(O)C4O)OC(CO)C(O)C(O)C3O)cc2)Oc2cc(O)cc(O)c21Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)(C2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 236.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD03294
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
