Glycoside
GD101277
Name:
NoneFormula:
C17H18O5N5ISmiles:
Cn1cc(Nc2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1=OAglycone:
Cn1cc(Nc2ncnc3c2C(I)=C[N]3)ccc1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 499.27 | Num_heavy_atoms: | 28 |
| TPSA: | 134.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD42845
Formula: C12H9ON5I
Smiles:
Cn1cc(Nc2ncnc3c2C(I)=C[N]3)ccc1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.14 | Num_heavy_atoms: | 19 |
| TPSA: | 73.91 | NumAromaticRings: | 2 |
