Glycoside
GD084239
Name:
NoneFormula:
C16H20O7NBrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1CCc2cc(Br)ccc2O1Aglycone:
NC(=O)C1CCc2cc(Br)ccc2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.24 | Num_heavy_atoms: | 25 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD37600
Formula: C10H10O2NBr
Smiles:
NC(=O)C1CCc2cc(Br)ccc2O1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.1 | Num_heavy_atoms: | 14 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
