2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside
PubChem CID: 5321884
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| Compound Synonyms | 82373-94-2, 2,3,5,4'-Tetrahydroxystilbene 2-O-glucoside, 55327-45-2, 2,3,5,4-tetrahydroxyl diphenylethylene-2-o-glucoside, 54QRI6OKJ5, 2,3,5,4'-Tetrahydroxystilbene-2-O-b-D-glucopyranoside, EH-201, 2,3,4',5-Tetrahydroxystilbene 2-o-D-glucoside, UNII-54QRI6OKJ5, 2,3,5,4'-Tetrahydroxystilbene-2-O-beta-D-glucoside, CHEMBL460860, (2S,3R,4S,5S,6R)-2-(2,4-dihydroxy-6-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, (E)-2,3,5,4'-Tetrahydroxy stilbene-2-O-glucoside, (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2,3,5,4'-Tetrahydroxyl diphenylethylene-2-O-glucoside, 2,3,4',5-Tetrahydroxystilbene 2-O-Glucoside, 2,3,4',5-Tetrahydroxystilbene 2-O-, A-D-glucoside, 2,4-Dihydroxy-6-((1E)-2-(4-hydroxyphenyl)ethenyl)phenyl beta-D-glucopyranoside, beta-D-Glucopyranoside, 2,4-dihydroxy-6-((1E)-2-(4-hydroxyphenyl)ethenyl)phenyl, beta-D-Glucopyranoside, 2,4-dihydroxy-6-(2-(4-hydroxyphenyl)ethenyl)phenyl, (E)-, 2,3,5,4'-tetrahydroxystilbene 2-O-beta-D-glucoside, 2,3,5,4'-TETRAHYDROXYSTILBENE-2-O-BETA-D-GLUCOSIDE (USP-RS), 2,3,5,4'-TETRAHYDROXYSTILBENE-2-O-BETA-D-GLUCOSIDE [USP-RS], MFCD00238694, tetrahydroxyl diphenylethylene-2-o-glucoside, THSG, tetrahydroxyldiphenylethylene-2-o-glucoside, tetrahydroxystilbene glucoside, SCHEMBL2688101, SCHEMBL17507729, HY-N0652R, CHEBI:140850, DTXSID801242061, GLXC-02856, 2,3,5,4'-Tetrahydroxyl-diphenylethylene-2-O-beta-D-glucoside, HY-N0403, BDBM50020713, s3906, AKOS030530177, AKOS040758637, beta-D-Glucopyranoside, 2,4-dihydroxy-6-(2-(4-hydroxyphenyl)ethenyl)phenyl, CCG-268716, MT08982, NCGC00482790-01, Tetrahydroxystilbene-2-O-??-D-glucoside, AC-33974, AS-76404, DA-69632, Tetrahydroxystilbene-2-O-beta-D-glucoside, TS-09048, CS-0008935, T3513, F16062, 2,3,5,4'-Tetrahydroxy stilbene-2---D-glucoside, 2,3,5,4'-Tetrahydroxystilbene 2-O--D-glucoside, 2,3,5,4'-Tetrahydroxystilbene 2-O-fA-D-Glucoside, 2,3,5,4'-tetrahydroxystilbene-2-O-?-D-glucoside, 2,3,5,4'-Tetrahydroxystilbene-2-O-, A-D-glucoside, 2,3,5,4'-Tetrahydroxystilbene-2-O-ss-D-glucoside, 2,3,5,4-tetrahydroxyl-diphenylethylene-2-o-glucoside, (E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside, 2,3,5,4-Tetrahydroxy stilbene-2-Omicron-beta-D-glucoside, 2,3,5,4a(2)-Tetrahydroxystilbene 2-O-I(2)-D-glucoside, trans-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside, 2,3,5,4'-Tetrahydroxystilbene 2-O-, A-D-glucoside (Standard), 2,3,5,4'-TETRAHYDROXYSTILBENE-2-O-.BETA.-D-GLUCOSIDE, .BETA.-D-GLUCOPYRANOSIDE, 2,4-DIHYDROXY-6-((1E)-2-(4-HYDROXYPHENYL)ETHENYL)PHENYL, .BETA.-D-GLUCOPYRANOSIDE, 2,4-DIHYDROXY-6-(2-(4-HYDROXYPHENYL)ETHENYL)PHENYL, (E)-, 2,4-DIHYDROXY-6-((1E)-2-(4-HYDROXYPHENYL)ETHENYL)PHENYL .BETA.-D-GLUCOPYRANOSIDE, 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl beta-D-glucopyranoside, B-D-GLUCOPYRANOSIDE,2,4-DIHYDROXY-6-[2-(4-HYDROXYPHENYL)ETHENYL]PHENYL, (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, 2,3,5,4'-Tetrahydroxystilbene 2-O-AfAE'A centa' notA inverted exclamation markAfasA'A, AfAE'Adaggeratrade markAfA centA centasA notA em leaderA inverted exclamation mark-D-glucoside, TSG |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 160.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2CC2CCCCC2)CC1 |
| Np Classifier Class | Monomeric stilbenes |
| Deep Smiles | OC[C@H]O[C@@H]Occ/C=C/cccccc6))O)))))))cccc6O)))O))))))[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | C1CCC(CCC2CCCCC2OC2CCCCO2)CC1 |
| Classyfire Subclass | Stilbene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 536.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P11344, O42713, P18031 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H22O9 |
| Scaffold Graph Node Bond Level | C(=Cc1ccccc1OC1CCCCO1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JAYVHSBYKLLDJC-DSNJPTTOSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.3 |
| Logs | -1.936 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.794 |
| Synonyms | 2,3,5,4'-tetrahydroxystilbene-2-o-beta-d-glucoside, 2,3,5,4'-tetrahydroxystilbene-2-o-β-d-glucoside, 2-3-4'-5-tetrahydroxystilbene |
| Esol Class | Soluble |
| Functional Groups | CO, c/C=C/c, cO, cO[C@@H](C)OC |
| Compound Name | 2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.126 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 406.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.946906296551724 |
| Inchi | InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1 |
| Smiles | C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Stilbenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Seravschanicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aconitum Tasiromontanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Adansonia Grandidieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aphyllocladus Denticulatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aster Sedifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Bassia Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Dendriopoterium Menendezii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dodonaea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Dysoxylum Cumingianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Enceliopsis Argophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Eria Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Flacourtia Jangomas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Justicia Secunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Lavandula Vera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 17. Outgoing r'ship
FOUND_INto/from Miliusa Velutina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Neobalanocarpus Heimii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Onobrychis Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Physalis Alkekengi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Psychotria Stachyoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Reynoutria Multiflora (Plant) Rel Props:Reference:ISBN:9788172362461 - 24. Outgoing r'ship
FOUND_INto/from Senecio Subdentatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Teucrium Yemense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all