Glycoside
GD126029
Name:
1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methylbutan-1-oneFormula:
C18H26O9Smiles:
COc1cc(O)c(C(=O)CC(C)C)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)c(C(=O)CC(C)C)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.4 | Num_heavy_atoms: | 27 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD50976
Formula: C12H16O4
Smiles:
COc1cc(O)c(C(=O)CC(C)C)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.26 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
