chempirical

Acanthoside D

C34H46O18CAS 66791-77-3742.72 g/mol

Open in Covalent MOL file
OOOOOOOHOHOHOHOOOOHOHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C34H46O18
Molar mass
742.72 g/mol
Exact mass
742.2684 Da
logP
-1.85Crippen estimate
Polar surface area
254.1 Ų
H-bond donors / acceptors
8 / 18
Rotatable bonds
12
Stereocentres
R, S, S, R, S, R, S, S, R, 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. Search the SDS library

Identifiers

CAS number
66791-77-3
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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
FFDULTAFAQRACT-NYYYOYJKSA-N
InChI
InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • (-)-Syringaresinol diglucoside
  • β-D-Glucopyranoside, [(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-
  • 1H,3H-Furo[3,4-c]furan, β-D-glucopyranoside deriv.
  • [(1R,3aS,4R,6aS)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-β-D-glucopyranoside
  • (-)-Syringaresinol di-O-β-D-glucopyranoside
  • (-)-Syringaresinol-4,4′-bis-O-β-D-glucopyranoside
  • Syringaresinol 4′,4′′-di-O-β-D-glucopyranoside

Work with Acanthoside D

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.

Eleutheroside E39432-56-9Diastereomer

Similar compounds

(-)-Syringaresinol-4-O-beta-D-glucopyranoside137038-13-290 % similar Acanthoside B7374-79-090 % similar Phillyrin487-41-275 % similar (+)-Piresil-4-O-beta-D-glucopyraside69251-96-369 % similar Syringin118-34-361 % similar (+)-Yangambin13060-14-553 % similar 4-Methoxyphenyl beta-D-galactopyranoside3150-20-752 % similar 4-Methoxyphenylglucoside6032-32-252 % similar

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

Elsewhere

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