Basic information
- Standard SMILES
CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O- InChIKey
MGCIVWNKCIWQHX-QPJJXVBHSA-N- Molecular formula
- C35H46O20
- Average molar mass
- 786.7 g/mol
- Monoisotopic mass
- 786.25824387
Overview
Magnoloside B is an oligosaccharide.
Names & identifiers
- Preferred name
- Magnoloside B
- IUPAC
- [2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Names & synonyms
Magnoloside B116872-05-0[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate(2-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateRefChem:1553002-(3,4-Dihydroxyphenethoxy)-5-hydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl 3-(3,4-dihydroxyphenyl)acrylateSCHEMBL31621490CHEBI:81269TN7134C17679Q27155210
Database identifiers
- ChEBI
CHEBI:81269
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 324 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 14
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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