Glycoside
GD088542
Name:
NoneFormula:
C17H23O7N2BrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(N2CCOCC2)c(Br)c1Aglycone:
NC(=O)c1ccc(N2CCOCC2)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.28 | Num_heavy_atoms: | 27 |
| TPSA: | 131.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD38737
Formula: C11H13O2N2Br
Smiles:
NC(=O)c1ccc(N2CCOCC2)c(Br)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.14 | Num_heavy_atoms: | 16 |
| TPSA: | 55.56 | NumAromaticRings: | 1 |
