Glycoside
GD128429
Name:
1-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-1-oneFormula:
C16H22O8Smiles:
CC(CC(=O)c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CC(=O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.34 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD52019
Formula: C10H12O3
Smiles:
CC(O)CC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
