Glycoside
GD133544
Name:
2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[6-(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-5-methoxy-4H-chromen-4-oneFormula:
C27H30O16Smiles:
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3(C4OCC(O)C(O)C4O)OC(CO)C(O)C(O)C3O)c(=O)c12Aglycone:
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12Sugarmoiety:
OCC1OC(O)(C2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD03016
Formula: C16H12O7
Smiles:
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12| 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 |
