Glycoside
GD005000
Name:
NoneFormula:
C11H17O7N7S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)CS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)CS(N)(=O)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.43 | Num_heavy_atoms: | 27 |
| TPSA: | 225.64 | 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 |
AD04288
Formula: C2H8O4N2S2
Smiles:
CNS(=O)(=O)CS(N)(=O)=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 188.23 | Num_heavy_atoms: | 10 |
| TPSA: | 106.33 | NumAromaticRings: | 0 |
