Glycoside
GD006710
Name:
NoneFormula:
C17H24O5N6SSmiles:
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNS(C)(=O)=O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2.CNS(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.48 | Num_heavy_atoms: | 29 |
| TPSA: | 165.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD02797
Formula: C11H12N5
Smiles:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05521
Formula: C2H7O2NS
Smiles:
CNS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
