Glycoside
GD121671
Name:
3-{[6,6'-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-oneFormula:
C28H32O17Smiles:
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3(C4OC(CO)C(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(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.55 | Num_heavy_atoms: | 45 |
| TPSA: | 289.66 | 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 |
