Virgaureoside A
Basic information
- CAS
101247-84-1- Standard SMILES
O=C(OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
JGBPNQSHUMFCHA-RHYMDBNLSA-N- Molecular formula
- C26H32O14
- Average molar mass
- 568.5 g/mol
- Monoisotopic mass
- 568.17920569
Overview
Virgaureoside A has been reported in Prunus grayana with data available.
Names & identifiers
- Preferred name
- Virgaureoside A
- IUPAC
- [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Names & synonyms
Virgaureoside A101247-84-1DTXSID201438072-beta-D-Glucopyranosyloxybenzoic acid-2'-beta-D-glucopyranosyloxybenzyl ester[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl 2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybenzoateRefChem:194429DTXCID0066298Benzoic acid, 2-(beta-D-glucopyranosyloxy)-, (2-(beta-D-glucopyranosyloxy)phenyl)methyl ester[2-(beta-D-Glucopyranosyloxy)phenyl]methyl 2-(beta-D-glucopyranosyloxy)benzoateBenzoic acid, 2-(beta-D-glucopyranosyloxy)-, (2-(beta-D-glucopyranosyloxy)phenyl)methyl ester
Database identifiers
- CAS
101247-84-1- PubChem CID
- 180953
- DTXSID
DTXSID20143807- Nikkaji
- J2.315.868J
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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