Glycoside
GD135948
Name:
3,4,5-trihydroxy-6-(2-iodophenoxy)oxane-2-carboxylic acidFormula:
C12H13O7ISmiles:
O=C(O)C1OC(Oc2ccccc2I)C(O)C(O)C1OAglycone:
Oc1ccccc1ISugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.13 | Num_heavy_atoms: | 20 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD54958
Formula: C6H5OI
Smiles:
Oc1ccccc1I| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.01 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
