Glycoside
GD023986
Name:
NoneFormula:
C13H18O4N4SSmiles:
Nc1ncnc2c1ccn2[C@@H]1O[C@H](CSCCO)[C@H](O)[C@H]1OAglycone:
CSCCO.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.38 | Num_heavy_atoms: | 22 |
| TPSA: | 126.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | 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 |
