Glycoside
GD097143
Name:
NoneFormula:
C17H22O7N4S2Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1cc2c(s1)CCCC2Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2cc3c(s2)CCCC3)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.52 | Num_heavy_atoms: | 30 |
| TPSA: | 177.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD41295
Formula: C12H13O3N4S2
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2cc3c(s2)CCCC3)[N]C=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.4 | Num_heavy_atoms: | 21 |
| TPSA: | 115.72 | NumAromaticRings: | 1 |
