5,7-dihydroxy-2-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6H-chromen-4-one
Basic information
- CAS
34327-15-6- Standard SMILES
COc1ccc(-c2cc(=O)c3c(o2)=CC(O)(OC2O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]2O)CC=3O)cc1- InChIKey
LEZYKPPGUUFEOY-ZZRQQFOVSA-N- Molecular formula
- C28H34O15
- Average molar mass
- 610.6 g/mol
- Monoisotopic mass
- 610.18977037
Names & identifiers
- Preferred name
- 5,7-dihydroxy-2-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6H-chromen-4-one
- IUPAC
- 5,7-dihydroxy-2-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6H-chromen-4-one
Names & synonyms
34327-15-6DTXSID609558804,7-Dihydroxy-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-5H-1-benzopyran-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucopyranoside4,7-Dihydroxy-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-5H-1-benzopyran-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranosideFlavone, 5,7-dihydroxy-4'-methoxy-, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucopyranoside)
Database identifiers
- CAS
34327-15-6- PubChem CID
- 182183
- DTXSID
DTXSID60955880
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,130
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Compound notes
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