Basic information
- Standard SMILES
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc3oc(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)cc(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
QYVCMCHTBHFWCZ-RGXJHXSYSA-N- Molecular formula
- C42H46O22
- Average molar mass
- 902.8 g/mol
- Monoisotopic mass
- 902.24807311
Overview
Isovitexin 2''-(6'''-(E)-p-coumaroylglucoside) 4'-glucoside has been reported in Cucumis sativus with data available.
Names & identifiers
- Preferred name
- Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside 4'-O-glucoside
- IUPAC
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Names & synonyms
Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside 4'-O-glucosideLMPK12110329Isovitexin 2''-(6'''-(E)-p-coumaroylglucoside) 4'-glucoside
Database identifiers
- Nikkaji
- J1.667.406K
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 362 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 13
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,620
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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