Glycoside
GD101611
Name:
NoneFormula:
C13H16O6N2F3SBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2sc(Br)nc2C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1sc(Br)nc1C(F)(F)FSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.24 | Num_heavy_atoms: | 26 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD43010
Formula: C7H6O2N2F3SBr
Smiles:
O=C(NCCO)c1sc(Br)nc1C(F)(F)F| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.1 | Num_heavy_atoms: | 16 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
