Glycoside
GD130825
Name:
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-iodophenoxy)oxan-3-yl]acetamideFormula:
C14H18O6NISmiles:
CC(O)=NC1C(Oc2ccc(I)cc2)OC(CO)C(O)C1OAglycone:
Oc1ccc(I)cc1Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 423.2 | Num_heavy_atoms: | 22 |
| TPSA: | 111.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD01382
Formula: C6H5OI
Smiles:
Oc1ccc(I)cc1| 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 |
