Glycoside
GD095225
Name:
NoneFormula:
C18H23O8N2BrSmiles:
O=C(CN1C[C@@H](c2ccc(Br)cc2)OCC1=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CN1CC(c2ccc(Br)cc2)OCC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.29 | Num_heavy_atoms: | 29 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD40645
Formula: C12H13O3N2Br
Smiles:
NC(=O)CN1CC(c2ccc(Br)cc2)OCC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.15 | Num_heavy_atoms: | 18 |
| TPSA: | 72.63 | NumAromaticRings: | 1 |
