chempirical

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

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

Weigh it out

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

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

Similar compounds

Eleutheroside E39432-56-990 % similar (-)-Syringaresinol diglucoside66791-77-390 % similar Phillyrin487-41-269 % similar Syringin118-34-356 % similar Fraxin524-30-153 % similar (+)-Yangambin13060-14-548 % similar Methylarbutin6032-32-247 % similar Podophyllotoxin glucoside16481-54-247 % similar

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

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook