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 |
| Heavy Atom Count | 56.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1450.0 |
| Database Name | hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 21.0 |
| Uniprot Id | Q72547, P04150, n.a. |
| 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 |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | -1.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene glycosides |
| Molecular Formula | C38H60O18 |
| 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 |
| Compound Name | Stevioside |
| Kingdom | Organic compounds |
| Exact Mass | 804.378 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 804.378 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 804.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 21.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Steviol glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Stevia Rebaudiana (Plant) Rel Props:Source_db:npass_chem_all