Glycoside
GD026329
Name:
NoneFormula:
C12H17O7N7SSmiles:
NCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.38 | Num_heavy_atoms: | 27 |
| TPSA: | 217.8 | 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 |
AD08757
Formula: C3H8O4N2S
Smiles:
COS(=O)(=O)NC(=O)CN| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.17 | Num_heavy_atoms: | 10 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
