Glycoside
GD137986
Name:
1-(5-acetyl-3-methyl-2,3-dihydro-1-benzofuran-2-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-oneFormula:
C19H24O9Smiles:
CC(=O)c1ccc2c(c1)C(C)C(C(=O)COC1OC(CO)C(O)C(O)C1O)O2Aglycone:
CC(=O)c1ccc2c(c1)C(C)C(C(=O)CO)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD55718
Formula: C13H14O4
Smiles:
CC(=O)c1ccc2c(c1)C(C)C(C(=O)CO)O2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
