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Stevioside

PubChem CID: 442089

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Compound Synonyms Stevioside, Steviosin, 57817-89-7, STEVIBIOSIDE, CHEBI:9271, Rebaudin, UNII-0YON5MXJ9P, (-)-STEVIOSIDE, 0YON5MXJ9P, STEVIAN 50, Diterpene glycoside, CCRIS 6116, INS NO.960, FEMA NO. 4763, INS-960, .ALPHA.-G-SWEET, EINECS 260-975-5, BRN 0077427, DTXSID7021281, E-960, 4-17-00-03618 (Beilstein Handbook Reference), STEVIOSIDE (MART.), STEVIOSIDE [MART.], STEVIOSIDE (USP-RS), STEVIOSIDE [USP-RS], Kaur-16-en-18-oic acid,13-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-,b-D-glucopyranosyl ester, (4a)-, Stevioside hydrate, 13-[(2-O-.beta.-D-Glucopyranosyl-.alpha.-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid .beta.-D-glucopyranosyl ester, Kaur-16-en-18-oic acid, 13-((2-O-beta-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy)-, beta-D-glucopyranosyl ester, C09189, CHEMBL444122, Eupatorin?, Stevin?, (4a)-13-[(2-O-b-D-Glucopyranosyl-b-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid b-D-glucopyranosyl ester, Steviosin, 1-O-(13alpha-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose, 1-O-{13alpha-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl}-beta-D-glucopyranose, 13-((2-O-.beta.-D-Glucopyranosyl-.alpha.-D-glucopyranosyl)oxy)kaur-16-en-18-oic acid .beta.-D-glucopyranosyl ester, 13-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)kaur-16-en-18-oic acid beta-D-glucopyranosyl ester, 13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid beta-D-glucopyranosyl ester, alpha-G-SWEET, Stevioside (Standard), STEVIOSIDE [MI], Stevioside - min 80%, Stevioside - min 95%, Stevioside - min 98%, SCHEMBL33428, DTXCID301281, GTPL12423, HY-N0669R, HY-N0669, BDBM50480264, AKOS015895872, CS-W019786, DS-6711, FS76720, OS09396, OS46367, XS165242, Q415043, (4.ALPHA.)-13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)KAUR-16-EN-18-OIC ACID .BETA.-D-GLUCOPYRANOSYL ESTER, (4alpha)-13-((2-O-beta-D-GLUCOPYRANOSYL-beta-D-GLUCOPYRANOSYL)OXY)KAUR-16-EN-18-OIC ACID beta-D-GLUCOPYRANOSYL ESTER, (4alpha)-beta-D-Glucopyranosyl 13-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)kaur-16-en-18-oate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-dimethyl-methylene-[?]carboxylate, 1-O-{(5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-18-oxokaur-16-en-18-yl}-beta-D-glucopyranose, 260-975-5, KAUR-16-EN-18-OIC ACID, 13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-, KAUR-16-EN-18-OIC ACID, 13-((2-O-beta-D-GLUCOPYRANOSYL-beta-D-GLUCOPYRANOSYL)OXY)-, beta-D-GLUCOPYRANOSYL ESTER, (4alpha)-
Topological Polar Surface Area 295.0
Hydrogen Bond Donor Count 11.0
Inchi Key UEDUENGHJMELGK-HYDKPPNVSA-N
Rotatable Bond Count 10.0
State Solid
Synonyms 13-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid beta-D-glucopyranosyl ester, Steviosin, 13-[(2-O-b-D-Glucopyranosyl-b-D-glucopyranosyl)oxy]kaur-16-en-18-Oate b-D-glucopyranosyl ester, 13-[(2-O-b-D-Glucopyranosyl-b-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid b-D-glucopyranosyl ester, 13-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oate beta-D-glucopyranosyl ester, 13-[(2-O-Β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]kaur-16-en-18-Oate β-D-glucopyranosyl ester, 13-[(2-O-Β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid β-D-glucopyranosyl ester, Steviol glycoside, 1,2-Stevioside, Stevioside
Heavy Atom Count 56.0
Compound Name Stevioside
Kingdom Organic compounds
Exact Mass 804.378
Formal Charge 0.0
Monoisotopic Mass 804.378
Isotope Atom Count 0.0
Molecular Complexity 1450.0
Hydrogen Bond Acceptor Count 18.0
Molecular Weight 804.9
Database Name hmdb_chem_all;npass_chem_all;pubchem
Covalent Unit Count 1.0
Uniprot Id Q72547, P04150, n.a.
Defined Atom Stereocenter Count 21.0
Iupac Name [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Total Atom Stereocenter Count 21.0
Molecular Framework Aliphatic heteropolycyclic compounds
Total Bond Stereocenter Count 0.0
Class Prenol lipids
Inchi InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)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
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)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Xlogp -1.2
Superclass Lipids and lipid-like molecules
Defined Bond Stereocenter Count 0.0
Subclass Terpene glycosides
Taxonomy Direct Parent Steviol glycosides
Molecular Formula C38H60O18

  • 1. Outgoing r'ship FOUND_IN to/from Stevia Rebaudiana (Plant) Rel Props:Source_db:npass_chem_all
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