chempirical

20R-Ginsenoside rg2

C42H72O13CAS 80952-72-3785.03 g/mol

Open in Covalent MOL file
OOOOHOOHHOHOHOHOOHHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H72O13
Molar mass
785.03 g/mol
Exact mass
784.4973 Da
logP
2.15Crippen estimate
Polar surface area
219.0 Ų
H-bond donors / acceptors
9 / 13
Rotatable bonds
9
Stereocentres
S, R, R, R, S, R, S, S, R, R, S, R, R, R, R, R, S, R, R, R, Sin 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
80952-72-3
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@@](C)(CCC=C(C)C)O)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O
InChIKey
AGBCLJAHARWNLA-RPNKVCLTSA-N
InChI
InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42+/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • 20(R)-Ginsenoside rg2

Work with 20R-Ginsenoside rg2

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ginsenoside rg252286-74-5Diastereomer

Similar compounds

Ginsenoside rf52286-58-593 % similar Ginsenoside rh163223-86-988 % similar Ginsenoside 20(R)-rh180952-71-288 % similar Ginsenoside re52286-59-684 % similar Notoginsenoside R280418-25-383 % similar Ginsenoside rg6147419-93-079 % similar Ginsenoside F4181225-33-278 % similar Ginsenoside rg122427-39-072 % similar

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

Same formula

Ginsenoside rg314197-60-5 R-Ginsenoside rg338243-03-7 Ginsenoside F262025-49-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook