chempirical

Ginsenoside rb1

C54H92O23CAS 41753-43-91109.31 g/mol

Open in Covalent MOL file
OOOOOHOHOHOHOHOHHOOHOOHOHOHOOOOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C54H92O23
Molar mass
1109.31 g/mol
Exact mass
1108.6029 Da
Melting point
186–188 °C
logP
-2.20Crippen estimate
Polar surface area
377.3 Ų
H-bond donors / acceptors
15 / 23
Rotatable bonds
16
Stereocentres
S, S, R, R, R, S, S, R, S, S, R, S, R, R, R, R, R, S, R, R, S, S, R, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
41753-43-9
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@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChIKey
GZYPWOGIYAIIPV-JBDTYSNRSA-N
InChI
InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • β-D-Glucopyranoside, (3β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Sanchinoside E1
  • Gypenoside III
  • Gynosaponin C
  • Arasaponin E1
  • Panaxoside rb1
  • Sanchinoside rb1
  • Notoginsenoside rb1
  • NSC 310103
  • RB 1

Work with Ginsenoside rb1

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 rc11021-14-0100 % similar Ginsenoside rb211021-13-994 % similar Ginsenoside rb368406-26-894 % similar Gypenoside xvii80321-69-394 % similar Notoginsenoside fe88105-29-794 % similar Ginsenoside rd52705-93-893 % similar Gypenoside ix80321-63-788 % similar Ginsenoside rd283480-64-288 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook