Glycoside
GD018639
Name:
NoneFormula:
C16H19O4N7SSmiles:
CC(=NNc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1)c1cccs1Aglycone:
CC(=NNc1nc(N)c2c(n1)[N]C=N2)c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.44 | Num_heavy_atoms: | 28 |
| TPSA: | 163.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD13116
Formula: C11H10N7S
Smiles:
CC(=NNc1nc(N)c2c(n1)[N]C=N2)c1cccs1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.32 | Num_heavy_atoms: | 19 |
| TPSA: | 102.65 | NumAromaticRings: | 2 |
