Glycoside
GD089050
Name:
NoneFormula:
C14H15O6N2ISmiles:
N#Cc1ccc(I)cc1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#Cc1ccc(I)cc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.19 | Num_heavy_atoms: | 23 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD38914
Formula: C8H5ON2I
Smiles:
N#Cc1ccc(I)cc1C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.05 | Num_heavy_atoms: | 12 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
