Glycoside
GD096499
Name:
NoneFormula:
C19H20O8N4SSmiles:
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.46 | Num_heavy_atoms: | 32 |
| TPSA: | 184.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD41029
Formula: C14H11O4N4S
Smiles:
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.33 | Num_heavy_atoms: | 23 |
| TPSA: | 123.35 | NumAromaticRings: | 2 |
