Glycoside
GD035264
Name:
NoneFormula:
C13H17O6N7SSmiles:
NCC#Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COS(N)(=O)=O.NCC#CC1=N[N]c2ncnc(N)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.39 | Num_heavy_atoms: | 27 |
| TPSA: | 214.72 | 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 |
AD22321
Formula: C8H7N6
Smiles:
NCC#CC1=N[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.19 | Num_heavy_atoms: | 14 |
| TPSA: | 104.28 | NumAromaticRings: | 1 |
