Glycoside
GD020318
Name:
NoneFormula:
C12H16O3N5SISmiles:
CCSC[C@@H]1O[C@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@H]1OAglycone:
Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
CCSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 437.26 | Num_heavy_atoms: | 22 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD01497
Formula: C5H3N5I
Smiles:
Nc1nc(I)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
