Glycoside
GD082895
Name:
NoneFormula:
C13H15O7N2SBrSmiles:
N#Cc1cc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1BrAglycone:
N#Cc1cc(S(N)(=O)=O)ccc1BrSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 423.24 | Num_heavy_atoms: | 24 |
| TPSA: | 167.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD37127
Formula: C7H5O2N2SBr
Smiles:
N#Cc1cc(S(N)(=O)=O)ccc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 261.1 | Num_heavy_atoms: | 13 |
| TPSA: | 83.95 | NumAromaticRings: | 1 |
