chempirical

Ginsenoside F4

C42H70O12CAS 181225-33-2767.01 g/mol

Open in Covalent MOL file
OOOOOHHOHOHOHOOHHOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H70O12
Molar mass
767.01 g/mol
Exact mass
766.4867 Da
logP
2.95Crippen estimate
Polar surface area
198.8 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
8

Identifiers

CAS number
181225-33-2
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(=CCC=C(C)C)C)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O
InChIKey
QOMBXPYXWGTFNR-UHFFFAOYSA-N
InChI
InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3

Weigh it out

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

Work with Ginsenoside F4

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

20(R)-Ginsenoside112246-15-850 % similar (20S)-Protopanaxadiol30636-90-941 % similar (+)-Dioscin19057-60-435 % similar (3β,22β,25S)-Spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside20318-30-335 % similar Asiaticoside B125265-68-135 % similar Asiaticoside16830-15-235 % similar Araloside A7518-22-134 % similar Anemoside A3129724-84-133 % similar

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

Same formula

Ginsenoside rg6147419-93-0 Ginsenoside rg5186763-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook