Apigenin 7-O-rutinoside

C27H30O14CAS 552-57-8578.52 g/mol

Open in Covalent MOL file
OOOOOHOOHOHOHOHOHOHOOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O14
Molar mass
578.52 g/mol
Exact mass
578.1636 Da
Melting point
262–264 °C
logP
-1.10Crippen estimate
Polar surface area
229.0 Ų
H-bond donors / acceptors
8 / 14
Rotatable bonds
6
Stereocentres
S, R, R, S, R, S, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
552-57-8
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
FKIYLTVJPDLUDL-SLNHTJRHSA-N
InChI
InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

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Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-
  • Isorhoifolin
  • Flavone, 4′,5,7-trihydroxy-, 7-β-rutinoside
  • 7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Apigenin 7-rutinoside
  • Apigenin 7-β-rutinoside
  • Apigenin 7-O-β-D-glucopyranosyl-(6→1)-α-L-rhamnopyranoside
  • 5,7,4′-Trihydroxyflavone 7-O-rutinoside
  • Apigenin 7-O-α-L-rhamnosyl-(1→6)-β-D-glucopyranoside
  • Apigenin-7-O-β-D-rutinoside
  • Apigenin-7-O-gluco(6′-1′′′) rhamnoside
  • Apigenin 7-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside

Work with Apigenin 7-O-rutinoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ligustroflavone260413-62-590 % similar Linarin480-36-487 % similar Apigenin 7-O-(2G-rhamnosyl)gentiobioside174284-20-984 % similar Diosmin520-27-482 % similar Apigetrin578-74-574 % similar Robinin301-19-973 % similar Fortunellin20633-93-666 % similar Veronicastroside25694-72-866 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Rhoifolin17306-46-6 Kaempferitrin482-38-2 Vitexin 2''-O-rhamnoside64820-99-1

Elsewhere

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