Glycoside
GD038936
Name:
4-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrileFormula:
C20H14O6NF4ClSmiles:
N#Cc1c(F)c(F)c(-c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)c(F)c1FAglycone:
N#Cc1c(F)c(F)c(-c2ccc(O)c(Cl)c2)c(F)c1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 463.77 | Num_heavy_atoms: | 31 |
| TPSA: | 123.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD19100
Formula: C14H4ONF4Cl
Smiles:
N#Cc1c(F)c(F)c(-c2ccc(O)c(Cl)c2)c(F)c1F| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 301.63 | Num_heavy_atoms: | 20 |
| TPSA: | 44.02 | NumAromaticRings: | 2 |
