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Rebaudioside D

PubChem CID: 71773169

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Compound Synonyms Rebaudioside D, 63279-13-0, (-)-Rebaudioside D, Rebaudioside D, (-)-, Rebaudioside-D, UNII-1SU114WXBX, 1SU114WXBX, RebD, Reb D, Reb-D, FEMA NO. 4921, CHEBI:145022, DTXSID601019860, (4R)-13-[[2-O-(beta-D-Glucopyranosyl)-3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy]kaur-16-en-18-oic acid 2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl ester, KAUR-16-EN-18-oic acid, 13-((o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-beta-D-glucopyranosyl)oxy)-, 2-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (4alpha)-, 2-O-beta-D-glucopyranosyl-1-O-(13alpha-((beta-D-glucopyranosyl-(1->2)-(beta-D-glucopyranosyl-(1->3))-beta-D-glucopyranosyl)oxy)-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose, 2-O-beta-D-glucopyranosyl-1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose, Kaur-16-en-18-oic acid, 13-[(O-ss-D-glucopyranosyl-(1?2)-O-[ss-D-glucopyranosyl-(1?3)]-ss-D-glucopyranosyl)oxy]-, 2-O-ss-D-glucopyranosyl-ss-D-glucopyranosyl ester, (4a)-, Rebaudioside D, Rebaudioside D (Standard), REBAUDIOSIDE D [MI], CHEMBL3286747, HY-N0468R, RPYRMTHVSUWHSV-CUZJHZIBSA-N, DTXCID101477730, HY-N0468, MSK40344, s3259, AKOS040750454, OR44882, AC-34450, DA-77377, MS-31994, CS-0008993, NS00125093, D85011, Rebaudioside DRebaudioside D, (-)-, Rebaudioside-D, Q27252844, JDO, KAUR-16-EN-18-OIC ACID, 13-((O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSYL)OXY)-, 2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-
Topological Polar Surface Area 453.0
Hydrogen Bond Donor Count 17.0
Inchi Key RPYRMTHVSUWHSV-CUZJHZIBSA-N
Rotatable Bond Count 16.0
Heavy Atom Count 78.0
Compound Name Rebaudioside D
Exact Mass 1128.48
Formal Charge 0.0
Monoisotopic Mass 1128.48
Isotope Atom Count 0.0
Molecular Complexity 2080.0
Hydrogen Bond Acceptor Count 28.0
Molecular Weight 1129.2
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 31.0
Iupac Name [(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] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Total Atom Stereocenter Count 31.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O
Xlogp -4.4
Defined Bond Stereocenter Count 0.0
Molecular Formula C50H80O28

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