Glycoside
GD004447
Name:
NoneFormula:
C18H16O6N8F2SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)c(F)cc3c2=O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1n[nH]c2cc(F)c(F)cc2c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.44 | Num_heavy_atoms: | 35 |
| TPSA: | 211.23 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03884
Formula: C9H7O3N3F2S
Smiles:
CNS(=O)(=O)c1n[nH]c2cc(F)c(F)cc2c1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.24 | Num_heavy_atoms: | 18 |
| TPSA: | 91.92 | NumAromaticRings: | 2 |
