chempirical

Gypenoside ix

C47H80O17CAS 80321-63-7917.14 g/mol

Open in Covalent MOL file
OOOOOHOHOHOHOHHOOHOOOHOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C47H80O17
Molar mass
917.14 g/mol
Exact mass
916.5396 Da
logP
0.61Crippen estimate
Polar surface area
277.9 Ų
H-bond donors / acceptors
11 / 17
Rotatable bonds
12
Stereocentres
S, S, R, S, R, S, R, S, S, R, S, R, R, R, R, R, S, R, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
80321-63-7
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[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
ZTQSADJAYQOCDD-HUGMCNGHSA-N
InChI
InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,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-,44-,45+,46+,47-/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-xylopyranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
  • Gynosaponin I
  • Notoginsenoside fd
  • Ginsenoside C-mx1
  • 3-O-Glucosylginsenoside C-mx

Work with Gypenoside ix

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 rd283480-64-2Diastereomer

Similar compounds

Ginsenoside rb211021-13-994 % similar Ginsenoside rb368406-26-894 % similar Gypenoside xvii80321-69-394 % similar Ginsenoside F262025-49-489 % similar Ginsenoside rc11021-14-088 % similar Ginsenoside rb141753-43-988 % similar Ginsenoside rd52705-93-884 % similar Ginsenoside K39262-14-176 % similar

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

Same formula

Notoginsenoside ft1155683-00-4 Notoginsenoside fe88105-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook