Glycoside
GD015186
Name:
NoneFormula:
C16H17O6N5S2Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNS(=O)(=O)c3cc4ccccc4s3)[C@H](O)[C@H]2O)n1Aglycone:
CNS(=O)(=O)c1cc2ccccc2s1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.48 | Num_heavy_atoms: | 29 |
| TPSA: | 169.66 | 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 |
AD07114
Formula: C9H9O2NS2
Smiles:
CNS(=O)(=O)c1cc2ccccc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.31 | Num_heavy_atoms: | 14 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
