Veronicastroside

C27H30O15CAS 25694-72-8594.52 g/mol

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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

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
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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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

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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 (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol178468-00-3 Saponarin20310-89-8 Tectorigenin 7-O-xylosylglucoside231288-19-0 Kaempferol-3-O-glucorhamnoside40437-72-7

Elsewhere

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