Glycoside
GD129886
Name:
1,4-dimethyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioateFormula:
C13H16O7Smiles:
COC(=O)C(O)C(O)(Cc1ccc(O)cc1)C(=O)OCAglycone:
Cc1ccc(O)cc1Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OCOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
