9-Methoxy-7-[2-(beta-D-xylopyranosyloxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
Basic information
- CAS
160485-40-5- Standard SMILES
COc1c2c(cc3occ(-c4ccccc4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(=O)c13)OCO2- InChIKey
BKTIRNZJQRNCKX-IMOPPNOFSA-N- Molecular formula
- C22H20O10
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.10564683
Overview
Betavulgarin 2'-xyloside has been reported in Beta vulgaris with data available.
Names & identifiers
- Preferred name
- 9-Methoxy-7-[2-(beta-D-xylopyranosyloxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
- IUPAC
- 9-methoxy-7-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
Names & synonyms
160485-40-59-Methoxy-7-(2-(beta-D-xylopyranosyloxy)phenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one9-Methoxy-7-[2-(beta-D-xylopyranosyloxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-oneRefChem:313173DTXSID6011272332-(9-Methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-yl)phenyl beta-D-xylopyranoside9-Methoxy-7-[2-(I(2)-D-xylopyranosyloxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
Database identifiers
- CAS
160485-40-5- PubChem CID
- 10072136
- DTXSID
DTXSID601127233- Nikkaji
- J622.873I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 728
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Related reactions
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Compound notes
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