Neoschaftoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Also Known As: Neoschaftoside|Neoshaftoside|Schaftoside|TN6567|6-C-glucosyl-8-C-arabinosyl-apigenin|FS-7480|J1.944.441D|apigenin 6-C-beta-D-glucopyranosyl-8-C-beta-L-arabinopyranoside|Apigenin 6-C-b-D-glucopyranosyl-8-C-b-L-arabinopyranoside|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one|Apigenin 6-C-I2-D-glucopyranosyl-8-C-I2-L-arabinopyranoside|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one|8-beta-L-Arabinopyranosyl-6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|6-beta-D-Glucopyranosyl-8-beta-L-arabinopyranosyl-5,7,4 -trihydroxyflavone|4H-1-Benzopyran-4-one, 8beta-L-arabinopyranosyl-6-beta-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-8-((2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)chromen-4-one|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)-8-((2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl)chromen-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-1-benzopyran-4-one|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one|8-?-L-Arabinopyranosyl-6-?-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
| Molecular Formula | C26H28O14 |
|---|---|
| Molecular Weight | 564.1479 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1479 |
| Monoisotopic Mass | 564.1479 |
| Heavy Atoms | 40 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 61328-41-4 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O |
| InChIKey | MMDUKUSNQNWVET-LQYCTPBQSA-N |
Product Overview
Neoschaftoside (CAS 61328-41-4), with molecular formula C26H28O14 and molecular weight 564.1479 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one.