Glycoside
GD022768
Name:
NoneFormula:
C20H20O7N6S3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.62 | Num_heavy_atoms: | 36 |
| TPSA: | 199.62 | NumAromaticRings: | 4 |
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 |
AD05307
Formula: C11H11O4NS3
Smiles:
CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.41 | Num_heavy_atoms: | 19 |
| TPSA: | 80.31 | NumAromaticRings: | 2 |
