Glycoside
GD031123
Name:
NoneFormula:
C14H18O7N6SSmiles:
COCC#Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COCC#CC1=N[N]c2ncnc(N)c21.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.4 | Num_heavy_atoms: | 28 |
| TPSA: | 197.93 | 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 |
AD20074
Formula: C9H8ON5
Smiles:
COCC#CC1=N[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.2 | Num_heavy_atoms: | 15 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
