Rubiadinprimeveroside
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Basic information
- CAS
26388-47-6- Standard SMILES
Cc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1ccccc1C2=O- InChIKey
MICKPSHQKPCYJH-WFLOGZPDSA-N- Molecular formula
- C26H28O13
- Average molar mass
- 548.5 g/mol
- Monoisotopic mass
- 548.15299094
Overview
Rubiadinprimeveroside has been reported in Rubia wallichiana and Ophiorrhiza hayatana with data available.
Names & identifiers
- Preferred name
- Rubiadinprimeveroside
- IUPAC
- 1-hydroxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
- English name
- RUBIADINPRIMVEROSIDE
- Molecular formula
- C26H28O13
- Molecular weight
- 548.49
Names & synonyms
RubiadinprimeverosideRubiadin-primverosideBRN 007198226388-47-6CHEMBL52209584-17-00-03463 (Beilstein Handbook Reference)1-Hydroxy-2-methyl-3-((6-O-beta,D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-9,10-anthracenedionebeta-D-4-Hydroxy-3-methyl-2-anthraquinonyl 6-O-beta-D-xylopyranosylglucopyranosideGlucopyranoside, 4-hydroxy-3-methyl-2-anthraquinonyl 6-O-beta-D-xylopyranosyl-, beta-D-9,10-Anthracenedione, 1-hydroxy-2-methyl-3-((6-O-beta,D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-DTXSID90949277BDBM50607783
Show more names
RUBIADINPRIMVEROSIDE9,10-Anthracenedione, 1-hydroxy-2-methyl-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-
4-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-pentopyranosylhexopyranoside4-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 901
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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