chempirical

Ginsenoside F3

C41H70O13CAS 62025-50-7771.00 g/mol

Open in Covalent MOL file
OOOOOHOHOHOHOHHOOHHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C41H70O13
Molar mass
771.00 g/mol
Exact mass
770.4816 Da
logP
1.76Crippen estimate
Polar surface area
219.0 Ų
H-bond donors / acceptors
9 / 13
Rotatable bonds
9
Stereocentres
S, S, R, S, S, S, R, S, S, R, S, R, R, R, R, R, S, R, S, Rin SMILES atom order

Identifiers

CAS number
62025-50-7
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(C)(C)[C@@H]3[C@@H](O)C[C@]12C
InChIKey
HJRVLGWTJSLQIG-ABNMXWHVSA-N
InChI
InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,38+,39+,40+,41-/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,6,12-trihydroxydammar-24-en-20-yl 6-O-α-L-arabinopyranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,6α,12β)-3,6,12-Trihydroxydammar-24-en-20-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside

Work with Ginsenoside F3

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 F153963-43-284 % similar Notoginsenoside R180418-24-279 % similar Ginsenoside rg122427-39-076 % similar Gypenoside ix80321-63-773 % similar Ginsenoside rd283480-64-273 % similar Ginsenoside K39262-14-171 % similar Ginsenoside rb211021-13-969 % similar Ginsenoside rb368406-26-869 % similar

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

Same formula

Notoginsenoside R280418-25-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook