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Rutin trihydrate

PubChem CID: 16218542

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Compound Synonyms Rutin trihydrate, 250249-75-3, Rutoside trihydrate, Rutin hydrate, 207671-50-9, Rutoside trihydrate [EP], Rutin (hydrate), Rutin (trihydrate), Quercetin-3-rutinoside trihydrate, RF4N03853G, DTXSID50179735, RUTOSIDE TRIHYDRATE [WHO-DD], 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-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one trihydrate, 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, trihydrate, Rutin hydrate (JAN), RUTOSIDE TRIHYDRATE [EP MONOGRAPH], RUTIN HYDRATE [JAN], 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, trihydrate, 4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-, TRIHYDRATE, RUTOSIDE TRIHYDRATE (EP MONOGRAPH), UNII-RF4N03853G, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,4R,5S)-3,4,5-trihydroxy-6-(((2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, Rutin (trihydrate) (Standard), (+)-Rutin trihydrate, 95%, DTXCID10102226, NLLBWFFSGHKUSY-JPRRWYCFSA-N, HY-W013075R, Rutin trihydrate, >=90% (HPLC), Rutin trihydrate, analytical standard, AKOS025310161, CS-W013791, GS-3606, HY-W013075, OR03679, DA-77592, DA-77593, D00190, D96045, Rutin trihydrate 1000 microg/mL in Acetonitrile, Q27288087, Rutin trihydrate, primary pharmaceutical reference standard, Rutin hydrate (Rutoside hydrate, Quercetin 3-O-rutinoside hydrate), Rutoside trihydrate, European Pharmacopoeia (EP) Reference Standard, Rutin trihydrate, United States Pharmacopeia (USP) Reference Standard, 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-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-, 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-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-onetrihydrate, 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]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one trihydrate, 684-230-2, Quercetin-3-rutinoside hydrate, 3-[[6-O-(6-Deoxy-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4H-1 -benzopyran-4-one, Vitamin P hydrate, (+)-Rutin trihydrate
Prediction Swissadme 0.0
Topological Polar Surface Area 269.0
Hydrogen Bond Donor Count 13.0
Inchi Key NLLBWFFSGHKUSY-JPRRWYCFSA-N
Fcsp3 0.4444444444444444
Rotatable Bond Count 6.0
Heavy Atom Count 46.0
Compound Name Rutin trihydrate
Prediction Hob Swissadme 0.0
Exact Mass 664.185
Formal Charge 0.0
Monoisotopic Mass 664.185
Isotope Atom Count 0.0
Molecular Complexity 1020.0
Hydrogen Bond Acceptor Count 19.0
Molecular Weight 664.6
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 4.0
Defined Atom Stereocenter Count 10.0
Iupac Name 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, trihydrate
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Prediction Hob 0.0
Esol -1.749000504347829
Inchi InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9, , , /h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3, 3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-, , , /m0.../s1
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)O.O.O.O
Defined Bond Stereocenter Count 0.0
Molecular Formula C27H36O19

  • 1. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients
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