Glycoside
GD100212
Name:
NoneFormula:
C15H18O7NFClSBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1cc(Cl)c(Br)cc1FSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.72 | Num_heavy_atoms: | 26 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD42350
Formula: C9H8O3NFClSBr
Smiles:
O=S(=O)(NCCO)c1cc(Cl)c(Br)cc1F| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.58 | Num_heavy_atoms: | 16 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
