chempirical

Vitexin 2′′-O-rhamnoside

C27H30O14CAS 64820-99-1578.52 g/mol

Open in Covalent MOL file
OOHOOHOHOHOOHOOHOOHHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O14
Molar mass
578.52 g/mol
Exact mass
578.1636 Da
logP
-1.06Crippen estimate
Polar surface area
240.0 Ų
H-bond donors / acceptors
9 / 14
Rotatable bonds
5
Stereocentres
S, S, R, S, S, R, S, R, R, Rin SMILES atom order

Identifiers

CAS number
64820-99-1
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@H](O)[C@H]1O
InChIKey
LYGPBZVKGHHTIE-HUBYJIGHSA-N
InChI
InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 8-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 8-[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Vitexin 2′′-rhamnoside
  • 2′′-O-Rhamnosylvitexin
  • Apigenin 8-C-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside]
  • 2′′-Rhamnosylvitexin
  • 2′′-O-α-L-Rhamnopyranosylvitexin
  • Vitexin 2′′-O-α-L-rhamnopyranoside
  • Vitexin 2′′-α-L-rhamnopyranoside
  • Apigenin 8-C-neohesperidoside
  • Vitexin-2′-O-rhamnoside
  • 2′-O-Rhamnosylvitexin

Work with Vitexin 2′′-O-rhamnoside

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

Vitexin3681-93-476 % similar Orientin28608-75-565 % similar Spinosin72063-39-961 % similar Veronicastroside25694-72-860 % similar Isovitexin29702-25-858 % similar Isovitexin38953-85-458 % similar Neodiosmin38665-01-956 % similar Apigetrin578-74-555 % similar

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

Same formula

Rhoifolin17306-46-6 Kaempferitrin482-38-2 Apigenin 7-O-rutinoside552-57-8

Elsewhere

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