Glycoside
GD070529
Name:
NoneFormula:
C12H17O6N2BrSmiles:
Cc1cc([N+](=O)[O-])c(NC[C@H](O)[C@H](O)[C@@H](O)CO)cc1BrAglycone:
CNc1cc(Br)c(C)cc1[N+](=O)[O-]Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 365.18 | Num_heavy_atoms: | 21 |
| TPSA: | 136.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD33434
Formula: C8H9O2N2Br
Smiles:
CNc1cc(Br)c(C)cc1[N+](=O)[O-]| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.08 | Num_heavy_atoms: | 13 |
| TPSA: | 55.17 | NumAromaticRings: | 1 |
