Glycoside
GD003311
Name:
NoneFormula:
C16H17O7N5SSmiles:
O=S(=O)(O)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
O=S(=O)(O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.41 | Num_heavy_atoms: | 29 |
| TPSA: | 179.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD03018
Formula: C11H8O3N5S
Smiles:
O=S(=O)(O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.28 | Num_heavy_atoms: | 20 |
| TPSA: | 118.64 | NumAromaticRings: | 2 |
