Glycoside
GD017244
Name:
NoneFormula:
C11H12O4N3SBrSmiles:
OC[C@@H]1OC(n2cc(Br)c3c(S)ncnc32)[C@H](O)[C@H]1OAglycone:
Sc1ncnc2c1C(Br)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.21 | Num_heavy_atoms: | 20 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD12327
Formula: C6H3N3SBr
Smiles:
Sc1ncnc2c1C(Br)=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 229.08 | Num_heavy_atoms: | 11 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
