Erycorchoside
Basic information
- CAS
31153-58-9- Standard SMILES
CC12CCC3C(CCC4(O)CC(OCCCOCC(=O)COC5OC(CO)C(O)C(O)C5O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1- InChIKey
WMNSAMZNLDKVOZ-UHFFFAOYSA-N- Molecular formula
- C35H52O14
- Average molar mass
- 696.8 g/mol
- Monoisotopic mass
- 696.33570633
Names & identifiers
- Preferred name
- Erycorchoside
- IUPAC
- 5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3-[2-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]propoxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
Erycorchoside31153-58-9RefChem:3397363-{3-[3-(hexopyranosyloxy)-2-oxopropoxy]propoxy}-5,14-dihydroxy-19-oxocard-20(22)-enolideDTXSID60953245NS00093808
Database identifiers
- CAS
31153-58-9- PubChem CID
- 207909
- DTXSID
DTXSID60953245
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,270
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Compound notes
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