Glycoside
GD040365
Name:
n-[valinyl]-n'-[adenosyl]-diaminosufoneFormula:
C15H24O6N8SSmiles:
CC(C)[C@@H](N)C(=O)NS(=O)(=O)NC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CNS(=O)(=O)NC(=O)C(N)C(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.47 | Num_heavy_atoms: | 30 |
| TPSA: | 220.6 | 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 |
AD24739
Formula: C6H15O3N3S
Smiles:
CNS(=O)(=O)NC(=O)C(N)C(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 209.27 | Num_heavy_atoms: | 13 |
| TPSA: | 101.29 | NumAromaticRings: | 0 |
