Glycoside
GD148110
Name:
3-{[6,6'-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneFormula:
C30H36O18Smiles:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC2(C3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1OSugarmoiety:
OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 684.6 | Num_heavy_atoms: | 48 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD59283
Formula: C18H16O8
Smiles:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
