Rebaudioside G

C38H60O18CAS 127345-21-5804.88 g/mol

Open in Covalent MOL file
OOOHHOOOOHHOHOOHOHOOOOHOHOHHO
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C38H60O18
Molar mass
804.88 g/mol
Exact mass
804.3780 Da
logP
-2.94Crippen estimate
Polar surface area
295.0 Ų
H-bond donors / acceptors
11 / 18
Rotatable bonds
9
Stereocentres
S, R, S, R, R, S, S, R, S, R, R, S, R, S, S, R, S, R, S, 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
127345-21-5
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChIKey
OKPSCKUJXYCMPR-GXTBKCSKSA-N
InChI
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-28(48)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-29(49)30(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+/m1/s1

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Work with Rebaudioside G

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

Rebaudioside A58543-16-192 % similar Rubusoside64849-39-491 % similar Rebaudioside M1220616-44-389 % similar Rebaudioside D63279-13-087 % similar Rebaudioside C63550-99-285 % similar Rebaudioside N1220616-46-582 % similar Steviolbioside41093-60-174 % similar Steviol471-80-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Stevioside57817-89-7 Rebaudioside B58543-17-2

Elsewhere

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