chempirical

Deslanoside

C47H74O19CAS 17598-65-1943.09 g/mol

Open in Covalent MOL file
OOHOOOOHOHOOHOOHOOHOHOHOOHOO
AcetalAlcoholAlkeneEsterEtherLactone

Properties

Molecular formula
C47H74O19
Molar mass
943.09 g/mol
Exact mass
942.4824 Da
logP
0.04Crippen estimate
Polar surface area
282.2 Ų
H-bond donors / acceptors
9 / 19
Rotatable bonds
10
Stereocentres
R, R, S, S, R, R, S, R, S, R, S, S, S, S, S, S, S, S, S, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
17598-65-1
SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1
InChIKey
OBATZBGFDSVCJD-LALPQLPRSA-N
InChI
InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,5β,12β)-
  • Lanatoside C, deacetyl-
  • (3β,5β,12β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide
  • Deacetyllanatoside C
  • Cedilanid D
  • Desacetyllanatoside C
  • Deslanatoside C
  • Deslanoside C
  • De-O-acetyllanatoside C
  • Deacetylanatoside C
  • Purpurea glycoside C
  • Desace
  • Desaci

Work with Deslanoside

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

Lanatoside C17575-22-391 % similar Digitoxin71-63-666 % similar Digoxigenin1672-46-458 % similar Periplocin13137-64-956 % similar Oleandrin465-16-749 % similar Digitoxigenin143-62-443 % similar Timosaponin B ii136656-07-036 % similar Timosaponin A iii41059-79-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook