Glycoside
GD124091
Name:
7-{[2',6-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-oneFormula:
C29H34O17Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4(C5(CO)OCC(O)C(O)C5O)OC(CO)C(O)C(O)C4O)cc3o2)cc(OC)c1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OSugarmoiety:
OCC1OC(O)(C2(CO)OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD08658
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
