Glycoside
GD009058
Name:
NoneFormula:
C14H21O6N7S2Smiles:
CSCC[C@H](N)C(=O)NS(=O)(=O)O[C@@H]1C[C@H](O)[C@H](n2cnc3c(N)ncnc32)O1Aglycone:
CSCCC(N)C(=O)NS(=O)(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.5 | Num_heavy_atoms: | 29 |
| TPSA: | 197.57 | 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 |
AD07149
Formula: C5H12O4N2S2
Smiles:
CSCCC(N)C(=O)NS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 228.3 | Num_heavy_atoms: | 13 |
| TPSA: | 109.49 | NumAromaticRings: | 0 |
