Glycoside
GD088644
Name:
NoneFormula:
C18H20O7N4SSmiles:
O=S(=O)(c1ccccc1)n1ccc2c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ncnc21Aglycone:
Nc1ncnc2c1ccn2S(=O)(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.45 | Num_heavy_atoms: | 30 |
| TPSA: | 167.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD38792
Formula: C12H10O2N4S
Smiles:
Nc1ncnc2c1ccn2S(=O)(=O)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.3 | Num_heavy_atoms: | 19 |
| TPSA: | 90.87 | NumAromaticRings: | 3 |
