Glycoside
GD100431
Name:
NoneFormula:
C19H17O8N4ClSSmiles:
O=C(O)c1cc(S(=O)(=O)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1ClAglycone:
O=C(O)c1cc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)ccc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.87 | Num_heavy_atoms: | 32 |
| TPSA: | 184.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD42442
Formula: C14H8O4N4ClS
Smiles:
O=C(O)c1cc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)ccc1Cl| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 351.75 | Num_heavy_atoms: | 23 |
| TPSA: | 123.35 | NumAromaticRings: | 2 |
