Glycoside
GD082765
Name:
NoneFormula:
C14H16O9N2F2SSmiles:
N#Cc1cc(F)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(F)c1Aglycone:
COS(O)(O)O.N#Cc1cc(F)c(C(N)=O)c(F)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.35 | Num_heavy_atoms: | 28 |
| TPSA: | 192.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29326
Formula: C8H4ON2F2
Smiles:
N#Cc1cc(F)c(C(N)=O)c(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.13 | Num_heavy_atoms: | 13 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
