chempirical

Gypenoside XVII

C48H82O18CAS 80321-69-3947.17 g/mol

Open in Covalent MOL file
OOOOOHOHOHOHOHOHHOOHOOOHOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C48H82O18
Molar mass
947.17 g/mol
Exact mass
946.5501 Da
logP
-0.03Crippen estimate
Polar surface area
298.1 Ų
H-bond donors / acceptors
12 / 18
Rotatable bonds
13
Stereocentres
S, S, R, R, R, S, S, R, S, S, R, S, R, R, R, R, R, S, R, R, S, S, R, R, 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
80321-69-3
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[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(C)(C)[C@@H]3CC[C@]12C
InChIKey
ZRBFCAALKKNCJG-SJYBZOGZSA-N
InChI
InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • β-D-Glucopyranoside, (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-glucopyranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Gynosaponin S
  • Ginsenoside gyp17
  • GypXVII
  • 3-O-Glucosylgypenoside LXXV

Work with Gypenoside XVII

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

Notoginsenoside fe88105-29-7100 % similar Ginsenoside rc11021-14-094 % similar Ginsenoside rb141753-43-994 % similar Gypenoside IX80321-63-794 % similar Ginsenoside rd283480-64-294 % similar Ginsenoside F262025-49-492 % similar Ginsenoside rb211021-13-988 % similar Ginsenoside rb368406-26-888 % similar

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

Same formula

Ginsenoside re52286-59-6 Ginsenoside rd52705-93-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook