Spinacetin 3-O-glucosyl-(1->6)-glucoside
Grundinformationen
- CAS
101021-29-8- Standard-SMILES
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O- InChIKey
ZZNVCZGRNCQHCQ-UHFFFAOYSA-N- Summenformel
- C29H34O18
- Durchschnittliche Molmasse
- 670,6 g/mol
- Monoisotopische Masse
- 670,17451423
Überblick
Spinacetin 3-beta-gentiobioside is a dimethoxyflavone that is spinacetin in which the hydroxy group at position 3 has been replaced by a beta-gentiobiosyl group. It has a role as a plant metabolite. It is a dimethoxyflavone, a trihydroxyflavone and a disaccharide derivative. It is functionally related to a Spinacetin and a beta-D-Glcp-(1->6)-beta-D-Glcp.
Namen und Bezeichner
- Bevorzugter Name
- Spinacetin 3-O-glucosyl-(1->6)-glucoside
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Namen und Synonyme
Spinacetin 3-O-glucosyl-(1->6)-glucosidespinacetin 3-beta-gentiobiosideSCHEMBL30217577CHEBI:192235Spinacetin 3-O-beta-gentiobiosideDTXSID7013416145,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosideSpinacetin 3-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranosidespinacetin 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Datenbank-Bezeichner
- CAS
101021-29-8- PubChem CID
- 73822534
- DTXSID
DTXSID701341614- ChEBI
CHEBI:192235
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,5
- Polarare Oberfläche (TPSA)
- 284 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.110
Experimentelle und physikochemische Eigenschaften
Melting Point192 - 194 °C
Physical DescriptionSolid
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
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