Glycoside
GD038330
Name:
~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamideFormula:
C22H32O12N2Smiles:
COc1cccc(C(=O)N[C@@H]2[C@@H](NC(C)=O)O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)c1Aglycone:
COc1cccc(C(=O)NC2C(NC(C)=O)OC(CO)C(O)C2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.5 | Num_heavy_atoms: | 36 |
| TPSA: | 216.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD23970
Formula: C16H22O7N2
Smiles:
COc1cccc(C(=O)NC2C(NC(C)=O)OC(CO)C(O)C2O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 137.35 | NumAromaticRings: | 1 |
