Glycoside
GD038341
Name:
~{n}-[(1~{r},2~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy l]-4-nitro-benzamideFormula:
C16H22O8N2SSmiles:
CS[C@H]1O[C@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CC(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.43 | Num_heavy_atoms: | 27 |
| TPSA: | 162.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD23976
Formula: C10H12O4N2
Smiles:
CC(O)CNC(=O)c1ccc([N+](=O)[O-])cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.22 | Num_heavy_atoms: | 16 |
| TPSA: | 92.47 | NumAromaticRings: | 1 |
