Glycoside
GD082660
Name:
NoneFormula:
C13H18O7NSBrSmiles:
O=C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NS(=O)(=O)Cc1cccc(Br)c1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.26 | Num_heavy_atoms: | 23 |
| TPSA: | 144.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD36334
Formula: C7H8O2NSBr
Smiles:
NS(=O)(=O)Cc1cccc(Br)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.12 | Num_heavy_atoms: | 12 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
