chempirical

Ginsenoside rg2

C42H72O13CAS 52286-74-5785.03 g/mol

Open in Covalent MOL file
OHOHHOOOOHOHHOOOHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H72O13
Molar mass
785.03 g/mol
Exact mass
784.4973 Da
Melting point
187–189 °C
logP
2.15Crippen estimate
Polar surface area
219.0 Ų
H-bond donors / acceptors
9 / 13
Rotatable bonds
9
Stereocentres
S, S, R, R, R, R, R, S, R, S, R, R, S, S, R, S, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
52286-74-5
SMILES
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C
InChIKey
AGBCLJAHARWNLA-DQUQINEDSA-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

12 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • Chikusetsusaponin I
  • Prosapogenin C2
  • Panaxoside rg2
  • GF VI
  • 20(S)-Ginsenoside rg2
  • Ginsenoside 20-rg2
  • S-Ginsenoside rg2
  • Ginsenoside rg2s
  • Rg2 ginsenoside

Work with 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

Similar compounds

Ginsenoside rf52286-58-593 % similar Ginsenoside rh163223-86-988 % 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 Notoginsenoside R180418-24-271 % 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