Glycoside
GD026356
Name:
NoneFormula:
C8H11O6N5SSmiles:
N#Cc1ncn(C2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)n1Aglycone:
COS(N)(=O)=O.N#CC1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.27 | Num_heavy_atoms: | 20 |
| TPSA: | 173.58 | NumAromaticRings: | 1 |
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 |
AD17380
Formula: C3HN4
Smiles:
N#CC1=N[N]C=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 93.07 | Num_heavy_atoms: | 7 |
| TPSA: | 62.61 | NumAromaticRings: | 0 |
