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Eleutheroside E

PubChem CID: 71312557

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Compound Synonyms Eleutheroside E, 39432-56-9, UNII-8JP2P44H3Z, 8JP2P44H3Z, ELEUTHEROSIDE E [USP-RS], (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, ((1R,3aR,4S,6aS)-tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene) bis-, ELEUTHEROSIDE E (CONSTITUENT OF ELEUTHERO) [DSC], ELEUTHEROSIDE E (USP-RS), .BETA.-D-GLUCOPYRANOSIDE, ((1R,3AR,4S,6AS)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2,6-DIMETHOXY-4,1-PHENYLENE) BIS-, 4-((1R,3AS,4S,6AR)-4-(4-(.BETA.-L-GLUCOPYRANOSYLOXY)-3,5-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2,6-DIMETHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDE, (2S,3R,4S,5S,6R)-2-(4-((3R,3aS,6S,6aR)-6-(3,5-dimethoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-3-yl)-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-(4-((3S,3aR,6R,6aS)-6-(3,5-dimethoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-3-yl)-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, [(1R,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-, Eleutheroside E (Standard), Acanthoside D, Eleutheroside E, CHEMBL2442731, HY-N0272R, CHEBI:144389, FFDULTAFAQRACT-JSGUJALWSA-N, DTXSID801316969, HY-N0272, AKOS030526142, CS-5288, MS33277, AS-56698, beta-D-Glucopyranoside, 4-((1R,3aS,4S,6aR)-4-(4-(beta-L-glucopyranosyloxy)-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2,6-dimethoxyphenyl, DA-52857, Syringaresinol-4',4'-O-bis-beta-D-glucoside, C20786, ELEUTHEROSIDE E (CONSTITUENT OF ELEUTHERO), Q27270642, (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, [(1r,3ar,4s,6as)-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-beta-d-glucopyranoside, 4-((1R,3AS,4S,6AR)-4-(4-(BETA-L-GLUCOPYRANOSYLOXY)-3,5-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2,6-DIMETHOXYPHENYL BETA-D-GLUCOPYRANOSIDE, 609-679-3
Topological Polar Surface Area 254.0
Hydrogen Bond Donor Count 8.0
Heavy Atom Count 52.0
Isotope Atom Count 0.0
Molecular Complexity 1010.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 14.0
Iupac Name (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 0.0
Xlogp -1.4
Molecular Formula C34H46O18
Prediction Swissadme 0.0
Inchi Key FFDULTAFAQRACT-JSGUJALWSA-N
Fcsp3 0.6470588235294118
Logs -3.359
Rotatable Bond Count 12.0
Logd 0.122
Compound Name Eleutheroside E
Prediction Hob Swissadme 0.0
Exact Mass 742.268
Formal Charge 0.0
Monoisotopic Mass 742.268
Hydrogen Bond Acceptor Count 18.0
Molecular Weight 742.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 14.0
Total Bond Stereocenter Count 0.0
Esol -2.954258030769236
Inchi InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16+,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,33+,34+/m1/s1
Smiles COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@H]3[C@@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC
Nring 6.0
Defined Bond Stereocenter Count 0.0

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