Notoginsenoside fe

C47H80O17CAS 88105-29-7917.14 g/mol

Open in Covalent MOL file
OOOOHOHOOHHOOHOHOHOOOHOHOHHO
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
13
Stereocentres
S, S, R, R, S, R, 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.

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Identifiers

CAS number
88105-29-7
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[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
MYBAONSAUGZRAX-UBQYYSLZSA-N
InChI
InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-59-40-37(56)33(52)26(20-49)60-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)32(51)25(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

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Names and synonyms

8 names
  • β-D-Glucopyranoside, (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-α-L-arabinofuranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside
  • Ginsenoside mb
  • Ginsenoside C-mc1
  • Ginsenoside compound Mc1
  • 3-O-Glucosylginsenoside C-mc
  • Ginsenoside fe

Work with Notoginsenoside fe

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

Gypenoside XVII80321-69-3100 % similar Ginsenoside rc11021-14-094 % similar Ginsenoside rb141753-43-994 % similar Ginsenoside F262025-49-492 % similar Ginsenoside rb211021-13-988 % similar Ginsenoside rb368406-26-888 % similar Ginsenoside rd52705-93-887 % similar Ginsenoside K39262-14-179 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Notoginsenoside ft1155683-00-4 Gypenoside IX80321-63-7 Ginsenoside rd283480-64-2

Elsewhere

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