Glycoside
GD027762
Name:
NoneFormula:
C14H14O6N6S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NS(=O)(=O)c2cccs2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNS(=O)(=O)c1cccs1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.44 | Num_heavy_atoms: | 28 |
| TPSA: | 182.55 | NumAromaticRings: | 3 |
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 |
AD18210
Formula: C5H5O3NS2
Smiles:
O=CNS(=O)(=O)c1cccs1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 191.23 | Num_heavy_atoms: | 11 |
| TPSA: | 63.24 | NumAromaticRings: | 1 |
