Glycoside
GD018150
Name:
NoneFormula:
C17H17O8N9SSmiles:
[N-]=[N+]=Nc1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@H](O)[C@H]3O)c2n1Aglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.[N-]=[N+]=Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 507.45 | Num_heavy_atoms: | 35 |
| TPSA: | 260.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD00533
Formula: C5H3N8
Smiles:
[N-]=[N+]=Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.14 | Num_heavy_atoms: | 13 |
| TPSA: | 127.02 | NumAromaticRings: | 1 |
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
