Glycoside
GD156720
Name:
5-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4H-pyran-4-oneFormula:
C12H16O9Smiles:
O=c1cc(COC2OC(CO)C(O)C(O)C2O)occ1OAglycone:
O=c1cc(CO)occ1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.25 | Num_heavy_atoms: | 21 |
| TPSA: | 149.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD62029
Formula: C6H6O4
Smiles:
O=c1cc(CO)occ1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
