Glycoside
GD157368
Name:
1,4-dimethyl 2,3-dihydroxy-2-[(4-methoxyphenyl)methyl]butanedioateFormula:
C14H18O7Smiles:
COC(=O)C(O)C(O)(Cc1ccc(OC)cc1)C(=O)OCAglycone:
COc1ccc(C)cc1Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OCOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.29 | Num_heavy_atoms: | 21 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD01981
Formula: C8H10O
Smiles:
COc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
