Glycoside
GD095903
Name:
4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)oxolane-3-carboxylic acidFormula:
C24H24O11Smiles:
O=C1O[C@@H](c2ccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)[C@@H](C(=O)O)/C1=C/c1ccc(O)cc1Aglycone:
O=C1OC(c2ccc(O)cc2)C(C(=O)O)C1=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.45 | Num_heavy_atoms: | 35 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD40831
Formula: C18H14O6
Smiles:
O=C1OC(c2ccc(O)cc2)C(C(=O)O)C1=Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.3 | Num_heavy_atoms: | 24 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
