chempirical

Hosenkoside C

C48H82O20CAS 156764-83-9979.16 g/mol

Open in Covalent MOL file
OHOOHOHOOHOHOOOHOHHOOOOHHOHOOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C48H82O20
Molar mass
979.16 g/mol
Exact mass
978.5399 Da
logP
-2.08Crippen estimate
Polar surface area
338.6 Ų
H-bond donors / acceptors
14 / 20
Rotatable bonds
15
Stereocentres
R, 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
Double bonds
ZE/Z, in SMILES 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
156764-83-9
SMILES
C/C(=C/CC[C@@]1(CC[C@@]2([C@@H]([C@H]1O)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)CO)/CO
InChIKey
QGMUCGXWCKWHRJ-PFRMLUNBSA-N
InChI
InChI=1S/C48H82O20/c1-23(17-49)7-6-12-48(21-53)16-15-46(4)24(40(48)62)8-9-29-44(2)13-11-30(45(3,28(44)10-14-47(29,46)5)22-63-41-37(60)34(57)31(54)25(18-50)64-41)67-43-39(36(59)33(56)27(20-52)66-43)68-42-38(61)35(58)32(55)26(19-51)65-42/h7,24-43,49-62H,6,8-22H2,1-5H3/b23-7-/t24-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45+,46-,47-,48-/m1/s1

Weigh it out

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

Work with Hosenkoside C

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 G160896-46-891 % similar Hosenkoside K160896-49-170 % similar Hosenkoside M161016-51-965 % similar Hosenkoside F160896-45-763 % similar Ginsenoside rg314197-60-550 % similar R-Ginsenoside rg338243-03-750 % similar Ginsenoside rc11021-14-047 % similar Ginsenoside rb141753-43-947 % similar

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

Same formula

Hosenkoside A156791-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook