Glycoside
GD101166
Name:
NoneFormula:
C14H14O4N5SISmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccsc4)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
Ic1nc2c(c(Nc3ccsc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 475.27 | Num_heavy_atoms: | 25 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD42759
Formula: C9H5N5SI
Smiles:
Ic1nc2c(c(Nc3ccsc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.15 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
