Glycoside
GD087781
Name:
NoneFormula:
C17H20O8N4SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1ccc2c(c1)CCO2Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2ccc3c(c2)CCO3)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.43 | Num_heavy_atoms: | 30 |
| TPSA: | 186.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD38501
Formula: C12H11O4N4S
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2ccc3c(c2)CCO3)[N]C=N1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 307.31 | Num_heavy_atoms: | 21 |
| TPSA: | 124.95 | NumAromaticRings: | 1 |
