Glycoside
GD008772
Name:
NoneFormula:
C12H17O4N5SSmiles:
Nc1ncnc2c1ncn2C1O[C@H](CSCCO)[C@H](O)[C@H]1OAglycone:
CSCCO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.37 | Num_heavy_atoms: | 22 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | 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 |
