Glycoside
GD072272
Name:
NoneFormula:
C12H20O9N3FSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccnn1CCFAglycone:
COS(O)(O)O.NC(=O)c1ccnn1CCFSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.37 | Num_heavy_atoms: | 26 |
| TPSA: | 186.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD25593
Formula: C6H8ON3F
Smiles:
NC(=O)c1ccnn1CCF| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 157.15 | Num_heavy_atoms: | 11 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
