chempirical

Hosenkoside A

C48H82O20CAS 156791-82-1979.16 g/mol

Open in Covalent MOL file
HOHOOOOHOHOHHOOOOHOHHOOOOHHOHOHOO
AcetalAlcoholEther

Properties

Molecular formula
C48H82O20
Molar mass
979.16 g/mol
Exact mass
978.5399 Da
logP
-1.98Crippen estimate
Polar surface area
327.6 Ų
H-bond donors / acceptors
13 / 20
Rotatable bonds
12
Stereocentres
S, 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
156791-82-1
SMILES
C[C@@H](CO)[C@@H]1CC[C@@]2(CC[C@@]3([C@@H]([C@H]2O)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)CO1
InChIKey
JUKFJOYCFLIWIA-MDQYKXRHSA-N
InChI
InChI=1S/C48H82O20/c1-22(16-49)24-8-13-48(21-62-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,28(44)9-12-47(29,46)5)20-63-41-37(59)34(56)31(53)25(17-50)64-41)67-43-39(36(58)33(55)27(19-52)66-43)68-42-38(60)35(57)32(54)26(18-51)65-42/h22-43,49-61H,6-21H2,1-5H3/t22-,23+,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+/m0/s1

Weigh it out

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

Work with Hosenkoside A

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 K160896-49-192 % similar Hosenkoside M161016-51-986 % similar Hosenkoside F160896-45-779 % similar Hosenkoside G160896-46-865 % similar Pulchinenoside B4129741-57-744 % similar Ginsenoside rg314197-60-544 % similar R-Ginsenoside rg338243-03-744 % similar Ginsenoside rc11021-14-042 % similar

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

Same formula

Hosenkoside C156764-83-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook