Glycoside
GD158047
Name:
3,3',4,4',5,5'-hexahydroxy-2-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6'-methyl-[2,2'-bioxane]-6-carboxylic acidFormula:
C28H30O15Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4(C5OC(C)C(O)C(O)C5O)OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC1OC(C2(O)OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 606.53 | Num_heavy_atoms: | 43 |
| TPSA: | 246.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
