Glycoside
GD026184
Name:
NoneFormula:
C17H15O8N4FSSmiles:
O=C(OC[C@@H]1O[C@H](C2=NNC3C(=O)N=CN=C23)[C@H](O)[C@H]1O)c1ccc(S(=O)(=O)F)cc1Aglycone:
COC(=O)c1ccc(S(=O)(=O)F)cc1.O=C1N=CN=C2C=NNC12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.39 | Num_heavy_atoms: | 31 |
| TPSA: | 176.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD08471
Formula: C8H7O4FS
Smiles:
COC(=O)c1ccc(S(=O)(=O)F)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.2 | Num_heavy_atoms: | 14 |
| TPSA: | 60.44 | NumAromaticRings: | 1 |
AD12593
Formula: C5H4ON4
Smiles:
O=C1N=CN=C2C=NNC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.11 | Num_heavy_atoms: | 10 |
| TPSA: | 66.18 | NumAromaticRings: | 0 |
