Glycoside
GD097058
Name:
NoneFormula:
C20H21O7N5SSmiles:
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ncnc4c3ccn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc21Aglycone:
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)ccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.48 | Num_heavy_atoms: | 33 |
| TPSA: | 167.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD41252
Formula: C15H12O3N5S
Smiles:
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)ccc21| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.36 | Num_heavy_atoms: | 24 |
| TPSA: | 106.36 | NumAromaticRings: | 2 |
