Glycoside
GD083120
Name:
NoneFormula:
C14H18O6NISmiles:
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(I)cc1Aglycone:
Oc1ccc(I)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 423.2 | Num_heavy_atoms: | 22 |
| TPSA: | 108.25 | 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 |
