Narcissin structure

Narcissin

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[(2S,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]oxychromen-4-one

Also Known As: Narcissin|Tamarixetin 3-rutinoside|TN8629|3-O-Robinobioside-3,3',5,7-Tetrahydroxy-4'-methoxyflavone|5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one|2-(3-Hydroxy-4-methoxyphenyl)-3-[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one|3-(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyloxy)-3 ,5,7-trihydroxy-4 -methoxyflavone|3-[(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-3 ,5,7-trihydroxy-4 -methoxyflavone|5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[(2S,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]oxychromen-4-one|5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

CAS: 20550-05-4
Molecular Formula C28H32O16
Molecular Weight 624.169 g/mol
LogP -1.3841
Topological Polar Surface Area 258.43 Ų
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 16
Rotatable Bonds 7
Exact Mass 624.169
Monoisotopic Mass 624.169
Heavy Atoms 44
Complexity 1556.8699

Chemical Identifiers

CAS Number 20550-05-4
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O

Product Overview

Narcissin (CAS 20550-05-4), with molecular formula C28H32O16 and molecular weight 624.169 g/mol. IUPAC: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[(2S,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]oxychromen-4-one.

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