Glycoside
GD026872
Name:
NoneFormula:
C11H13O6N7SSmiles:
N#Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COS(N)(=O)=O.N#CC1=N[N]c2ncnc(N)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.34 | Num_heavy_atoms: | 25 |
| TPSA: | 212.49 | 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 |
AD01277
Formula: C6H3N6
Smiles:
N#CC1=N[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.13 | Num_heavy_atoms: | 12 |
| TPSA: | 102.05 | NumAromaticRings: | 1 |
