Glycoside
GD028567
Name:
NoneFormula:
C12H16O8N6SSmiles:
COC(=O)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COC(=O)C1=N[N]c2ncnc(N)c21.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.36 | Num_heavy_atoms: | 27 |
| TPSA: | 215.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD18650
Formula: C7H6O2N5
Smiles:
COC(=O)C1=N[N]c2ncnc(N)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.16 | Num_heavy_atoms: | 14 |
| TPSA: | 104.56 | NumAromaticRings: | 1 |
