chempirical

Kaempferol 3-O-sophoroside

C27H30O16CAS 19895-95-5610.52 g/mol

Open in Covalent MOL file
OOOOHOHHOOOOHOHOHHOOHOHOOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O16
Molar mass
610.52 g/mol
Exact mass
610.1534 Da
Melting point
195 °C
logP
-2.42Crippen estimate
Polar surface area
269.4 Ų
H-bond donors / acceptors
10 / 16
Rotatable bonds
7
Stereocentres
S, R, S, S, R, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
19895-95-5
SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
InChIKey
LKZDFKLGDGSGEO-UJECXLDQSA-N
InChI
InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Flavone, 3,4′,5,7-tetrahydroxy-, 3-(2-O-β-D-glucopyranosyl-β-D-glucopyranoside)
  • 3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Kaempferol 3-β-sophoroside
  • Flavone, 3,4′,5,7-tetrahydroxy-, 3-sophoroside
  • Kaempferol 3-sophoroside
  • Sophoraflavonoloside
  • 3,4′,5,7-Tetrahydroxyflavone 3-β-D-sophoroside
  • Flavone, 3,4′,5,7-tetrahydroxy-, 3-β-sophoroside
  • Kaempherol 3-O-β-sophoroside
  • Kaempferol 3-O-β-D-sophoroside
  • Kaempferol 3-O-β-sophoroside
  • Kaempferol 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
  • Kaempferol 3-O-β-D-glucosyl-(2→1)-β-D-glucoside
  • Astragalin-2′′-O-β-D-glucopyranoside
  • Kaempferide-3-O-sophoroside

Work with Kaempferol 3-O-sophoroside

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

Astragalin480-10-489 % similar Quercetin 3-O-sophoroside18609-17-188 % similar Juglanin5041-67-887 % similar Kaempferol 3-O-sophoroside 7-O-rhamnoside93098-79-478 % similar Isoquercetin482-35-977 % similar Hyperoside482-36-077 % similar Avicularin572-30-576 % similar Clitorin55804-74-575 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Rutin153-18-4 Kaempferol 3-O-gentiobioside22149-35-5 Rhodiosin86831-54-1

Elsewhere

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