Glycoside
GD101362
Name:
NoneFormula:
C14H14O4N5SISmiles:
OC[C@H]1O[C@@H](n2cc(I)c3c(Nc4cncs4)ncnc32)[C@H](O)[C@@H]1OAglycone:
IC1=C[N]c2ncnc(Nc3cncs3)c21Sugarmoiety:
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
AD42903
Formula: C9H5N5SI
Smiles:
IC1=C[N]c2ncnc(Nc3cncs3)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.15 | Num_heavy_atoms: | 16 |
| TPSA: | 64.8 | NumAromaticRings: | 2 |
