Salidroside
PubChem CID: 159278
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| Compound Synonyms | Salidroside, 10338-51-9, Rhodioloside, Rhodosin, sallidroside, salidroside, (-)-, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol, Glucopyranoside, p-hydroxyphenethyl, Tyrosol glucoside, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-3,4,5-triol, MFCD00210553, UNII-M983H6N1S9, 2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside, DTXSID4049034, M983H6N1S9, NSC-741643, 8-O-b-D-glucoside of tyrosol, CHEBI:9009, CHEMBL465208, DTXCID9028960, beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, NSC 741643, p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside, SALIDROSIDE (USP-RS), SALIDROSIDE [USP-RS], CAS-10338-51-9, Salidroside?, Salidroside,(S), NCGC00169145-02, pyran-3,4,5-triol, Salidroside (Standard), 2-(4-hydroxyphenyl)ethyl-beta-d-glucopyranoside, salidroside (rhodioloside), beta-D-glucopyranoside, 2-(4-hydroxyphenyl)ethyl-, MLS006010734, SCHEMBL148079, MEGxp0_000478, Salidroside, analytical standard, ACon1_000366, HY-N0109R, p-Hydroxyphenethyl glucopyranoside, ILRCGYURZSFMEG-RKQHYHRCSA-N, GLXC-03926, HMS3884N15, HY-N0109, Tox21_113565, (4-hydroxyphenethoxy)tetrahydro-2H-, BDBM50269651, NSC741643, s2396, 4-hydroxyphenyl-2-ethylglucopyranoside, AKOS015895134, Tox21_113565_1, AC-6071, CCG-267467, CS-5300, MS15592, Salidroside, >=95% (LC/MS-ELSD), NCGC00169145-01, NCGC00169145-03, 1ST40052, SMR001294679, TYROSOL alpha-(beta-D-GLUCOPYRANOSIDE), SW219124-1, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-, C06046, SALIDROSIDE (CONSTITUENT OF RHODIOLA ROSEA), Q7404463, TYROSOL .ALPHA.-(.BETA.-D-GLUCOPYRANOSIDE), BRD-K66030860-001-01-0, BRD-K66030860-001-03-6, BRD-K66030860-001-04-4, Salidroside, primary pharmaceutical reference standard, 2-(4-HYDROXYPHENYL)ETHYL-.BETA.-D-GLUCOPYRANOSIDE, SALIDROSIDE (CONSTITUENT OF RHODIOLA ROSEA) [DSC], .BETA.-D-GLUCOPYRANOSIDE, 2-(4-HYDROXYPHENYL)ETHYL-, Salidroside, United States Pharmacopeia (USP) Reference Standard, Rhodioloside, 2-(4-Hydroxyphenyl)ethyl-b-D-glucopyranoside, Tyrosol glucoside, (2R,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCCC2CCCCC2)CC1 |
| Np Classifier Class | Phenylethanoids |
| Deep Smiles | OC[C@H]O[C@@H]OCCcccccc6))O))))))))[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(CCOC2CCCCO2)CC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P23219, P0A7Y4, n.a., P0DTD1, P27338 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Target Id | NPT30, NPT582 |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H20O7 |
| Scaffold Graph Node Bond Level | c1ccc(CCOC2CCCCO2)cc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILRCGYURZSFMEG-RKQHYHRCSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5714285714285714 |
| Logs | -0.61 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.652 |
| Synonyms | 4-hydroxyphenyl-2-ethyl-beta-d-glucoside, rhodioloside, salidroside |
| Esol Class | Very soluble |
| Functional Groups | CO, CO[C@@H](C)OC, cO |
| Compound Name | Salidroside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 300.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -0.9218319714285713 |
| Inchi | InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1 |
| Smiles | C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Phenylethanoids (C6-C2) |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Serbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alangium Premnifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
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FOUND_INto/from Bombax Ceiba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
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