chempirical

Hosenkoside K

C54H92O25CAS 160896-49-11141.31 g/mol

Open in Covalent MOL file
OOOHHOHOHOHOOOOHOHOHHOOOOHOHHOOOOHHOHOHOO
AcetalAlcoholEther

Properties

Molecular formula
C54H92O25
Molar mass
1141.31 g/mol
Exact mass
1140.5928 Da
logP
-4.16Crippen estimate
Polar surface area
406.8 Ų
H-bond donors / acceptors
16 / 25
Rotatable bonds
15
Stereocentres
S, R, R, S, S, R, S, S, R, S, R, R, R, R, R, S, R, R, R, S, S, R, R, 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
160896-49-1
SMILES
C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]2CC[C@@]3(CC[C@@]4([C@@H]([C@H]3O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@@]6(C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)CO2
InChIKey
JWINIHBXRZXFKL-SGBJXWCQSA-N
InChI
InChI=1S/C54H92O25/c1-23(20-71-46-41(67)37(63)33(59)26(16-55)74-46)25-8-13-54(22-72-25)15-14-52(4)24(45(54)70)6-7-31-50(2)11-10-32(51(3,30(50)9-12-53(31,52)5)21-73-47-42(68)38(64)34(60)27(17-56)75-47)78-49-44(40(66)36(62)29(19-58)77-49)79-48-43(69)39(65)35(61)28(18-57)76-48/h23-49,55-70H,6-22H2,1-5H3/t23-,24+,25-,26+,27+,28+,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,52+,53+,54+/m0/s1

Weigh it out

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

Work with Hosenkoside K

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

Hosenkoside M161016-51-993 % similar Hosenkoside A156791-82-192 % similar Hosenkoside F160896-45-786 % similar Hosenkoside C156764-83-970 % similar Hosenkoside G160896-46-867 % similar Pulchinenoside B4129741-57-745 % similar Ginsenoside rc11021-14-044 % similar Ginsenoside rb141753-43-944 % similar

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

Elsewhere

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