5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide
Basic information
- CAS
15596-26-6- Standard SMILES
C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O[C@@H]5OC[C@@H](O)C(O)C5O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1- InChIKey
XMNREHIXCIWCGI-IOELUSJZSA-N- Molecular formula
- C28H40O10
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.26214747
Names & identifiers
- Preferred name
- 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide
- IUPAC
- (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
DTXSID909353325,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolideRefChem:1072097DTXCID601363964Strophanthidin-D-xylose15596-26-6Strophanthidin-beta-d-xyloside5,14-Dihydroxy-3-beta-((D-xylopyranosyl)oxy)-19-oxo-5-beta-card-20(22)-enolide5-beta-CARD-20(22)-ENOLIDE, 5,14-DIHYDROXY-3-beta-((D-XYLOPYRANOSYL)OXY)-19-OXO-(8xi,9xi)-5,14-Dihydroxy-19-oxo-3beta-[(beta-D-glycero-pentopyranosyl)oxy]-5beta-card-20(22)-enolide
Database identifiers
- CAS
15596-26-6- PubChem CID
- 27411
- DTXSID
DTXSID90935332
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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