Glycoside
GD039331
Name:
2-cyano-3-[4-(dimethylamino)phenyl]-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamideFormula:
C18H23O6N3Smiles:
CN(C)c1ccc(C=C(C#N)C(=O)N[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
CN(C)c1ccc(C=C(C#N)C(N)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.4 | Num_heavy_atoms: | 27 |
| TPSA: | 146.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD24354
Formula: C12H13ON3
Smiles:
CN(C)c1ccc(C=C(C#N)C(N)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 215.26 | Num_heavy_atoms: | 16 |
| TPSA: | 70.12 | NumAromaticRings: | 1 |
