Glycoside
GD006387
Name:
NoneFormula:
C13H17O4N5SSmiles:
C=CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
C=CCSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.38 | Num_heavy_atoms: | 23 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD05292
Formula: C8H8N5S
Smiles:
C=CCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.25 | Num_heavy_atoms: | 14 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
