chempirical

Veronicastroside

C27H30O15CAS 25694-72-8594.52 g/mol

Open in Covalent MOL file
OOOOHOHOHOOOHOHOOHOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O15
Molar mass
594.52 g/mol
Exact mass
594.1585 Da
logP
-1.39Crippen estimate
Polar surface area
249.2 Ų
H-bond donors / acceptors
9 / 15
Rotatable bonds
6
Stereocentres
S, S, R, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
25694-72-8
SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
SHPPXMGVUDNKLV-KMFFXDMSSA-N
InChI
InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

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

Names and synonyms

13 names · show all
  • 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-
  • Flavone, 3′,4′,5,7-tetrahydroxy-, 7-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside]
  • Lonicerin
  • Glucopyranoside, luteolin-7 2-O-(6-deoxy-α-L-mannopyranosyl)-, β-D-
  • 7-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
  • Lonicerin (glycoside)
  • Loniceroside (flavone)
  • Loniceroside
  • Luteolin 7-neohesperidoside
  • Luteolin 7-O-neohesperidoside
  • Luteolin 7-β-neohesperidoside
  • Luteolin 7-O-β-D-neohesperidoside
  • Luteolin-neohesperidoside

Work with Veronicastroside

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

Rhoifolin17306-46-688 % similar Neodiosmin38665-01-986 % similar Cynaroside5373-11-580 % similar Luteolin 7-O-[2-(β-D-apiofuranosyl)-β-D-glucopyranoside]506410-53-370 % similar Diosmetin 7-O-β-D-glucoside20126-59-469 % similar Apigetrin578-74-568 % similar Tilianin4291-60-567 % similar Kaempferol 3-O-sophoroside 7-O-rhamnoside93098-79-466 % similar

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

Same formula

Baicalein 7-O-diglucoside114482-86-9 Kaempferol 3-O-rutinoside17650-84-9 Saponarin20310-89-8

Elsewhere

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