Glycoside
GD135362
Name:
1-(2-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propan-1-oneFormula:
C16H22O8Smiles:
CCC(=O)c1cccc(OC2OC(CO)C(O)C(O)C2O)c1OCAglycone:
CCC(=O)c1cccc(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.34 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD54735
Formula: C10H12O3
Smiles:
CCC(=O)c1cccc(O)c1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
