Glycoside
GD064710
Name:
NoneFormula:
C10H13O6N2SBrSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ncc(Br)s1Aglycone:
NC(=O)c1ncc(Br)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 369.19 | Num_heavy_atoms: | 20 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD31147
Formula: C4H3ON2SBr
Smiles:
NC(=O)c1ncc(Br)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 207.05 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
