Rutin
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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
Molecular Identity
Rutin
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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
PubChem CID: 5280805
Rutin is a rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. It has a role as an antioxidant and a metabolite. It is a rutinoside, a tetrahydroxyflavone, a disaccharide derivative and a quercetin O-glucoside.
2D Structure
Properties
C27H30O16
Molecular Formula
610.50
Molecular Weight
g/mol
610.1534
Exact Mass
Da
-1.3
XLogP
Drug-like (Lipinski: < 5)
266
TPSA
May have limited oral absorption
10
H-Bond Donors
16
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)OIsomeric SMILES
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)O)O)O)O)O)O)O)OSynonyms(20)
RUTIN153-18-4rutosideQuercetin 3-rutinosideBirutanPhytomelinSophorinIlixanthinMyrticolorinGlobulariacitrinOsyritrinPaliurosideTanrutin3-Rutinosyl quercetinQuercetin-3-rutinoside
Data from PubChem (NCBI)
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Drug Network
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