Glycoside
GD038093
Name:
5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}1,~{n}3-dimethyl-benzene-1,3-dicarboxamideFormula:
C23H28O8N2Smiles:
CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c(C)c2)c1Aglycone:
CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O)c(C)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.48 | Num_heavy_atoms: | 33 |
| TPSA: | 157.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD11373
Formula: C17H18O3N2
Smiles:
CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O)c(C)c2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.34 | Num_heavy_atoms: | 22 |
| TPSA: | 78.43 | NumAromaticRings: | 2 |
