Glycoside
GD038896
Name:
3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehydeFormula:
C28H27O8NSSmiles:
Cc1cc(C=O)c(OCc2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)c(-c2nc3ccccc3s2)c1Aglycone:
Cc1cc(C=O)c(OCc2ccc(O)cc2)c(-c2nc3ccccc3s2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 537.59 | Num_heavy_atoms: | 38 |
| TPSA: | 138.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD24173
Formula: C22H17O3NS
Smiles:
Cc1cc(C=O)c(OCc2ccc(O)cc2)c(-c2nc3ccccc3s2)c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.45 | Num_heavy_atoms: | 27 |
| TPSA: | 59.42 | NumAromaticRings: | 4 |
