Glycoside
GD038195
Name:
~{n}-[(2~{s},3~{r},4~{r},5~{r},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{s})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamideFormula:
C22H31O13N3Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1OAglycone:
O=[N+]([O-])c1ccc(O)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.5 | Num_heavy_atoms: | 38 |
| TPSA: | 239.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD00091
Formula: C6H5O3N
Smiles:
O=[N+]([O-])c1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 63.37 | NumAromaticRings: | 1 |
