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COCONUT Compound
Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside
CNP0354243.4 · C26H28O14 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside |
|---|---|
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2~{S},4~{R},5~{S})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-[(2~{S},4~{S},5~{S})-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one |
| COCONUT ID | CNP0354243.4 |
| InChIKey | OVMFOVNOXASTPA-ICQLDYLPSA-N |
| InChI | InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13?,17-,18+,21-,22?,23?,25-,26-/m0/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C(O)=C([C@@H]3OC[C@H](O)[C@H](O)C3O)C(O)=C12 |
Properties
| Molecular Formula | C26H28O14 |
|---|---|
| Molecular Weight | 564.50 |
| Exact Mass | 564.14791 |
| Log P (ALogP) | -1.75 |
| TPSA | 250.97 |
| H-Bond Donors / Acceptors | 10 / 14 |
| Rotatable Bonds | 4 |
| Lipinski's Rule of 5 Violations | 3 |
| QED Drug-likeness | 0.17 |
| NP-likeness | 1.96 |
Classification
| NP Pathway | Shikimates and Phenylpropanoids |
|---|---|
| NP Superclass | Flavonoids |
| NP Class | Flavones |
| Chemical Superclass | Phenylpropanoids and polyketides |
| Chemical Class | Flavonoids |
| Chemical Subclass | Flavonoid glycosides |
Reported in GR-MAPs Plants
| Artemisia annua | as “Artemisia annua L.” in COCONUT |
|---|---|
| Vitex negundo | as “Vitex negundo” in COCONUT |
| Glycyrrhiza glabra | as “Glycyrrhiza glabra” in COCONUT |
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.