Glycoside
GD006403
Name:
NoneFormula:
C18H19O8N5S3Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)cs3)[C@H](O)[C@H]2O)n1Aglycone:
CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 529.58 | Num_heavy_atoms: | 34 |
| TPSA: | 203.8 | NumAromaticRings: | 3 |
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 |
AD05307
Formula: C11H11O4NS3
Smiles:
CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.41 | Num_heavy_atoms: | 19 |
| TPSA: | 80.31 | NumAromaticRings: | 2 |
