Ginsenoside F3

C41H70O13CAS 62025-50-7771.00 g/mol

Open in Covalent MOL file
OOOOHOHOOHHOOHOHOHOHHO
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

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
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

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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 20(R)-Notoginsenoside R2948046-15-9

Elsewhere

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