chempirical

Hosenkoside G

C47H80O19CAS 160896-46-8949.14 g/mol

Open in Covalent MOL file
OHOOOHHOHOHOOOHOOHOHOOOHOHOHHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C47H80O19
Molar mass
949.14 g/mol
Exact mass
948.5294 Da
logP
-1.44Crippen estimate
Polar surface area
318.4 Ų
H-bond donors / acceptors
13 / 19
Rotatable bonds
14
Stereocentres
R, R, S, R, R, R, R, R, S, R, R, R, S, S, R, R, R, S, S, R, S, R, 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
160896-46-8
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](CO7)O)O)O)C)C)C)CO)/CO
InChIKey
AJUACYVEKRAXEB-QXJSNOIISA-N
InChI
InChI=1S/C47H80O19/c1-23(17-48)7-6-12-47(21-51)16-15-45(4)24(39(47)60)8-9-29-43(2)13-11-30(65-42-38(35(57)33(55)27(19-50)64-42)66-40-36(58)31(53)25(52)20-61-40)44(3,28(43)10-14-46(29,45)5)22-62-41-37(59)34(56)32(54)26(18-49)63-41/h7,24-42,48-60H,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-/m1/s1

Weigh it out

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

Work with Hosenkoside G

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 C156764-83-991 % similar Hosenkoside M161016-51-973 % similar Hosenkoside K160896-49-167 % similar Hosenkoside A156791-82-165 % similar Notoginsenoside ft1155683-00-454 % similar Ginsenoside rb211021-13-950 % similar Ginsenoside rb368406-26-850 % similar Pulchinenoside B4129741-57-749 % similar

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

Same formula

Hosenkoside F160896-45-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook