chempirical

Ginsenoside rg5

C42H70O12CAS 186763-78-0767.01 g/mol

Open in Covalent MOL file
OHOOHOHOHOOOOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H70O12
Molar mass
767.01 g/mol
Exact mass
766.4867 Da
logP
2.95Crippen estimate
Polar surface area
198.8 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
9
Stereocentres
S, R, R, R, R, R, S, R, R, S, S, R, S, R, S, S, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
186763-78-0
SMILES
CC(C)=CC/C=C(C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChIKey
NJUXRKMKOFXMRX-RNCAKNGISA-N
InChI
InChI=1S/C42H70O12/c1-21(2)10-9-11-22(3)23-12-16-42(8)30(23)24(45)18-28-40(6)15-14-29(39(4,5)27(40)13-17-41(28,42)7)53-38-36(34(49)32(47)26(20-44)52-38)54-37-35(50)33(48)31(46)25(19-43)51-37/h10-11,23-38,43-50H,9,12-20H2,1-8H3/b22-11+/t23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,40+,41-,42-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • β-D-Glucopyranoside, (3β,12β,20E)-12-hydroxydammara-20(22),24-dien-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,12β,20E)-12-Hydroxydammara-20(22),24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Ginsenoside rg5E

Work with Ginsenoside rg5

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 rh3105558-26-793 % similar Ginsenoside rg314197-60-576 % similar R-Ginsenoside rg338243-03-776 % similar Ginsenoside rd52705-93-874 % similar Ginsenoside rk2364779-14-673 % similar 20(R)-Ginsenoside112246-15-871 % similar Ginsenoside rh278214-33-271 % similar Ginsenoside rh4174721-08-570 % similar

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

Same formula

Ginsenoside rg6147419-93-0 Ginsenoside F4181225-33-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook