Glycoside
GD025884
Name:
NoneFormula:
C15H24O7N8S2Smiles:
CSCC[C@H](N)C(=O)NS(=O)(=O)NOC[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CONS(=O)(=O)NC(=O)C(N)CCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 492.54 | Num_heavy_atoms: | 32 |
| TPSA: | 229.83 | 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 |
AD17111
Formula: C6H15O4N3S2
Smiles:
CONS(=O)(=O)NC(=O)C(N)CCSC| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 257.34 | Num_heavy_atoms: | 15 |
| TPSA: | 110.52 | NumAromaticRings: | 0 |
