Glycoside
GD019538
Name:
NoneFormula:
C15H16O6N6SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNC3=NS(=O)(=O)c4ccccc43)[C@H](O)[C@H]2O)n1Aglycone:
CNC1=NS(=O)(=O)c2ccccc21.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.4 | Num_heavy_atoms: | 28 |
| TPSA: | 182.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD13631
Formula: C8H8O2N2S
Smiles:
CNC1=NS(=O)(=O)c2ccccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 196.23 | Num_heavy_atoms: | 13 |
| TPSA: | 58.53 | NumAromaticRings: | 1 |
