Glycoside
GD116398
Name:
2-(butan-2-yl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C19H24O9Smiles:
CCC(C)c1cc(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2o1Aglycone:
CCC(C)c1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD46213
Formula: C13H14O4
Smiles:
CCC(C)c1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
