Glycoside
GD091842
Name:
NoneFormula:
C12H18O7NS2BrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(Br)s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(Br)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.31 | Num_heavy_atoms: | 23 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD40051
Formula: C6H8O3NS2Br
Smiles:
O=S(=O)(NCCO)c1ccc(Br)s1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
