[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Basic information
- Standard SMILES
CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O- InChIKey
YMWRMAOPKNYHMZ-UHFFFAOYSA-N- Molecular formula
- C35H46O19
- Average molar mass
- 770.7 g/mol
- Monoisotopic mass
- 770.26332925
Overview
CID 179744 has been reported in Barleria and Callicarpa macrophylla with data available.
Names & identifiers
- Preferred name
- [6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
- IUPAC
- [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Names & synonyms
[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoates1074
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 13
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,210
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Related reactions
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Compound notes
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