Glycoside
GD016867
Name:
NoneFormula:
C17H17O6N7S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(-c3ccno3)s2)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(-c2ccno2)s1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 479.5 | Num_heavy_atoms: | 32 |
| TPSA: | 191.51 | 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 |
AD12093
Formula: C8H8O3N2S2
Smiles:
CNS(=O)(=O)c1ccc(-c2ccno2)s1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.3 | Num_heavy_atoms: | 15 |
| TPSA: | 72.2 | NumAromaticRings: | 2 |
