Glycoside
GD080811
Name:
NoneFormula:
C15H18O7NBrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(Br)cc2c1OCC2Aglycone:
NC(=O)c1cc(Br)cc2c1OCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 404.21 | Num_heavy_atoms: | 24 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD36480
Formula: C9H8O2NBr
Smiles:
NC(=O)c1cc(Br)cc2c1OCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.07 | Num_heavy_atoms: | 13 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
