Chemical Properties of Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy (CAS 153-18-4)

Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy

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InChI
InChI=1S/C27H30O16/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
InChI Key
IKGXIBQEEMLURG-UHFFFAOYSA-N
Formula
C27H30O16
SMILES
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O
Molecular Weight1
610.52
CAS
153-18-4
Other Names
  • rutoside
  • 3-[[6-O-(6-deoxy-«alpha»-L-mannopyranosyl)-«beta»-D-glucopyranosyl]-oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one (rutin)
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Physical Properties

Property Value Unit Source
log10WS -6.69 Crippen Calculated Property
logPoct/wat -1.687 Crippen Calculated Property
McVol 396.510 ml/mol McGowan Calculated Property

Similar Compounds

Strychnine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy.

Sources

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