Glycoside
GD156792
Name:
3,3',4,4',5,5'-hexahydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-[2,2'-bioxane]-6,6'-dicarboxylic acidFormula:
C27H26O17Smiles:
O=C(O)C1OC(C2(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(C2(O)OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.37 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 622.49 | Num_heavy_atoms: | 44 |
| TPSA: | 294.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
