chempirical

Hosenkoside M

C53H90O24CAS 161016-51-91111.28 g/mol

Open in Covalent MOL file
OOOHHOHOHOHOOOOHOHOHHOOOOHOHHOOOHOHOHOO
AcetalAlcoholEther

Properties

Molecular formula
C53H90O24
Molar mass
1111.28 g/mol
Exact mass
1110.5822 Da
logP
-3.52Crippen estimate
Polar surface area
386.5 Ų
H-bond donors / acceptors
15 / 24
Rotatable bonds
14
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, 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
161016-51-9
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](CO9)O)O)O)C)C)C)CO2
InChIKey
NACOJBQGIGOFFX-FOFPIWDISA-N
InChI
InChI=1S/C53H90O24/c1-23(19-69-45-41(66)37(62)34(59)27(16-54)73-45)26-8-13-53(22-71-26)15-14-51(4)24(44(53)68)6-7-31-49(2)11-10-32(76-48-43(39(64)36(61)29(18-56)75-48)77-46-40(65)33(58)25(57)20-70-46)50(3,30(49)9-12-52(31,51)5)21-72-47-42(67)38(63)35(60)28(17-55)74-47/h23-48,54-68H,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+/m0/s1

Weigh it out

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

Work with Hosenkoside M

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 F160896-45-793 % similar Hosenkoside K160896-49-193 % similar Hosenkoside A156791-82-186 % similar Hosenkoside G160896-46-873 % similar Hosenkoside C156764-83-965 % similar Notoginsenoside ft1155683-00-449 % similar Pulchinenoside B4129741-57-748 % similar Jujuboside B55466-05-246 % similar

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

Elsewhere

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