Glycoside
GD002118
Name:
NoneFormula:
C17H20O7N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NCc2ccccc2O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NCc1ccccc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.45 | Num_heavy_atoms: | 31 |
| TPSA: | 194.94 | 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 |
AD02051
Formula: C8H11O4NS
Smiles:
COS(=O)(=O)NCc1ccccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 217.25 | Num_heavy_atoms: | 14 |
| TPSA: | 75.63 | NumAromaticRings: | 1 |
