Glycoside
GD104186
Name:
3,4,5-trihydroxy-6-{4-[1-(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenoxy}oxane-2-carboxylic acidFormula:
C26H22O10Smiles:
O=C1O[C@@](c2ccc(O)cc2)(c2ccc(O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)cc2)c2ccccc21Aglycone:
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.45 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD43946
Formula: C20H14O4
Smiles:
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.33 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 3 |
