Glycoside
GD100842
Name:
NoneFormula:
C21H22O8N4SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1ccccc1Oc1ccccc1Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2ccccc2Oc2ccccc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.49 | Num_heavy_atoms: | 34 |
| TPSA: | 186.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD42603
Formula: C16H13O4N4S
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2ccccc2Oc2ccccc2)[N]C=N1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.37 | Num_heavy_atoms: | 25 |
| TPSA: | 124.95 | NumAromaticRings: | 2 |
