20R-Ginsenoside rg2
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.
Identifiers
CAS number
80952-72-3SMILES
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)OInChIKey
AGBCLJAHARWNLA-RPNKVCLTSA-NInChI
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/s1Weigh 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
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.
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
20(R)-Notoginsenoside R2948046-15-983 % similar
Ginsenoside rg6147419-93-079 % similar
Ginsenoside F4181225-33-278 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.