Glycoside
GD080827
Name:
NoneFormula:
C12H14O6N3SBrSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cn2cc(Br)sc2n1Aglycone:
NC(=O)c1cn2cc(Br)sc2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.23 | Num_heavy_atoms: | 23 |
| TPSA: | 136.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD36488
Formula: C6H4ON3SBr
Smiles:
NC(=O)c1cn2cc(Br)sc2n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.09 | Num_heavy_atoms: | 12 |
| TPSA: | 60.39 | NumAromaticRings: | 2 |
