Glycoside
GD141947
Name:
1,4-dimethyl 2-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioateFormula:
C13H16O8Smiles:
COC(=O)C(O)C(O)(Cc1ccc(O)c(O)c1)C(=O)OCAglycone:
Cc1ccc(O)c(O)c1Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OCOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.26 | Num_heavy_atoms: | 21 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD06437
Formula: C7H8O2
Smiles:
Cc1ccc(O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
