Glycoside
GD101976
Name:
NoneFormula:
C17H18O5N5ISmiles:
OCc1ccc(Nc2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1Aglycone:
OCc1ccc(Nc2ncnc3c2C(I)=C[N]3)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.27 | Num_heavy_atoms: | 28 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD43176
Formula: C12H9ON5I
Smiles:
OCc1ccc(Nc2ncnc3c2C(I)=C[N]3)cn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.14 | Num_heavy_atoms: | 19 |
| TPSA: | 85.03 | NumAromaticRings: | 2 |
