Structure via PubChem · Public domain (PubChem)
In the Vinony graph
Within Vinony's link graph, castavinol 3 is referenced by 6 other articles, and connects out to Wayback Machine, digital object identifier and chemical formula.
It is catalogued under topics including Chembox image size set, Chemical articles with multiple compound IDs and Flavonoid glucosides.
Its subject is documented across 5 Wikipedia language editions.
Chemical data
- Formula
- C26H30O14
- Molecular weight
- 566.5 g/mol
- IUPAC name
- 1-[9-(3,4-dihydroxy-5-methoxyphenyl)-3,5-dihydroxy-11-methyl-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]ethanone
- SMILES
- CC(=O)C1(C2C(C(O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)OC)O)O)OC5C(C(C(C(O5)CO)O)O)O)C
- InChIKey
- ADFRCNLBRJARNV-UHFFFAOYSA-N
- XLogP
- -0.9
- Polar surface area
- 225 Ų
- H-bond donors
- 8
- H-bond acceptors
- 14
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 566.1635556399999
Show 2 more facts
- canonical SMILES
- OC2C(O)C(O)C(OC2CO)OC4C3C(C)(C(C)=O)OC4(c(cc1OC)cc(O)c1O)Oc5c3c(O)cc(O)c5
- chemical formula
- C₂₆H₃₀O₁₄
via Wikidata · CC0
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