Glycoside
GD078694
Name:
NoneFormula:
C13H15O5N2SBrSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nc3cc(Br)ccc3s2)[C@@H](O)[C@@H]1OAglycone:
Nc1nc2cc(Br)ccc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 391.24 | Num_heavy_atoms: | 22 |
| TPSA: | 115.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD36167
Formula: C7H5N2SBr
Smiles:
Nc1nc2cc(Br)ccc2s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 229.1 | Num_heavy_atoms: | 11 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
