Acanthoside B

C28H36O13CAS 7374-79-0580.58 g/mol

Open in Covalent MOL file
OOOOOOOHOHOHOHOOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C28H36O13
Molar mass
580.58 g/mol
Exact mass
580.2156 Da
Melting point
182–183 °C
logP
0.68Crippen estimate
Polar surface area
175.0 Ų
H-bond donors / acceptors
5 / 13
Rotatable bonds
9
Stereocentres
S, R, R, S, S, R, S, S, 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
7374-79-0
SMILES
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O
InChIKey
WEKCEGQSIIQPAQ-IRBNZIFYSA-N
InChI
InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1

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Names and synonyms

12 names
  • β-D-Glucopyranoside, 2,6-dimethoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl
  • Glucopyranoside, 2,6-dimethoxy-4-[tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl, β-D-
  • β-D-Glucopyranoside, 2,6-dimethoxy-4-[tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl, [1S-(1α,3aα,4α,6aα)]-
  • 1H,3H-Furo[3,4-c]furan, β-D-glucopyranoside deriv.
  • 2,6-Dimethoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl β-D-glucopyranoside
  • Eleutheroside E1
  • (+)-Syringaresinol β-D-glucoside
  • (+)-Syringaresinol β-D-glucopyranoside
  • (+)-Syringaresinol O-β-D-glucopyranoside
  • (+)-Syringaresinol 4′-O-β-glucopyranoside
  • Syringaresinol 4′-O-β-D-glucopyranoside
  • Syringaresinol β-D-glucoside

Work with Acanthoside B

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Syringaresinol-4-O-beta-D-glucopyranoside137038-13-2Diastereomer

Similar compounds

Eleutheroside E39432-56-990 % similar Acanthoside D66791-77-390 % similar Phillyrin487-41-269 % similar (+)-Piresil-4-O-beta-D-glucopyraside69251-96-366 % similar Syringin118-34-356 % similar Fraxin524-30-153 % similar (+)-Yangambin13060-14-548 % similar 4-Methoxyphenyl beta-D-galactopyranoside3150-20-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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