Glycoside
GD025985
Name:
NoneFormula:
C11H16O4N6SSmiles:
Nc1ncnc2c1nnn2[C@@H]1O[C@H](CSCCO)[C@H](O)[C@H]1OAglycone:
CSCCO.Nc1ncnc2c1N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.35 | Num_heavy_atoms: | 22 |
| TPSA: | 152.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD00986
Formula: C4H3N6
Smiles:
Nc1ncnc2c1N=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 90.62 | NumAromaticRings: | 1 |
AD03642
Formula: C3H8OS
Smiles:
CSCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.16 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
