Glycoside
GD012925
Name:
5-IODO,5'-DEOXYTUBERCIDINFormula:
C11H13O3N4ISmiles:
C[C@@H]1O[C@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.15 | Num_heavy_atoms: | 19 |
| TPSA: | 106.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD01423
Formula: C6H4N4I
Smiles:
Nc1ncnc2c1C(I)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 259.03 | Num_heavy_atoms: | 11 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
