NP-MRD: Showing NP-Card for (-)-Rhodioloside (NP0071787)

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Record Information

Version

2.0

Created at

2022-04-28 17:07:34 UTC

Updated at

2022-04-28 17:07:34 UTC

NP-MRD ID

NP0071787

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Rhodioloside

Description

Salidroside, also known as tyrosol glucoside or rhodosin, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. It has been studied, along with rosavin, as one of the potential compounds responsible for the putative antidepressant and anxiolytic actions of this plant. Salidroside is an extremely weak basic (essentially neutral) compound (based on its pKa). Salidroside may be more active than rosavin, even though many commercially marketed Rhodiola rosea extracts are standardized for rosavin content rather than salidroside. (-)-Rhodioloside is found in Aristolochia cucurbitifolia, Asystasia gangetica, Betula pendula, Buddleja officinalis, Campylanthus glaber, Carica papaya, Castilleja densiflora, Cistanche salsa, Cistanche tubulosa, Croton chilensis, Epimedium diphyllum, Epimedium grandiflorum, Fernandoa adenophylla, Forsythia suspensa, Fraxinus formosana, Fraxinus griffithii, Fraxinus malacophylla, Hydrangea chinensis, Hydrangea macrophylla, Hypericum erectum, Ipomoea nil, Digitalis chalcantha, Lamium galeobdolon, Linaria japonica, Millingtonia hortensis, Pedicularis plicata, Penstemon acuminatus, Penstemon secundiflorus, Peperomia leptostachya, Peucedanum japonicum, Phillyrea latifolia, Plantago australis, Polypremum procumbens, Rehmannia glutinosa, Rhodiola coccinea, Rhodiola crenulata, Rhodiola fastigiata, Rhodiola heterodonta, Rhodiola quadrifida, Rhodiola rosea, Rhodiola sachalinensis, Rhodiola sacra, Ricciocarpos natans, Salix fragilis, Salix myrsinifolia, Salix phylicifolia, Salix rubra, Sargentodoxa cuneata, Scrophularia umbrosa, Scutellaria baicalensis, Stachys byzantina, Strychnos nux-vomica, Syringa reticulata, Syringa vulgaris, Viburnum dilatatum and Volkameria inermis. Salidroside (rhodioloside) is a glucoside of tyrosol found in the plant Rhodiola rosea.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1572004221606332D          

 26 27  0  0  1  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  8  1  2  0  0  0  0
  8  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  6  0  0  0
 13 19  1  6  0  0  0
 20  6  1  0  0  0  0
 14 20  1  1  0  0  0
 21 10  1  0  0  0  0
 21 14  1  0  0  0  0
 10 22  1  6  0  0  0
 11 23  1  1  0  0  0
 12 24  1  6  0  0  0
 13 25  1  1  0  0  0
 14 26  1  6  0  0  0
M  END

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
   -2.0696   -2.9088   -1.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9353   -2.8033    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955   -1.3568    0.7059 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8536   -0.7432    0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    0.5438   -0.2260 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1082    0.9107   -1.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976    2.0206   -0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413    1.8724    0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    0.8224    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   -0.4798    0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3945   -1.4552    0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826   -1.0582    0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5771   -1.9857    0.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550    0.2549   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706    1.1881   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2696    0.8550   -0.9343 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2454    2.1298   -1.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619    0.6913    0.1997 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5318    1.0871   -0.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2531   -0.7756    0.5423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0215   -1.0090    1.7016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631   -2.4726   -1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756   -3.3298    0.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -3.3784    0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969   -1.4305    1.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    1.2284    0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570    2.4221   -1.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    2.8636   -0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    2.8163    0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8396    1.6615    1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013   -0.8078    1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2391   -2.4764    1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4452   -1.7162   -0.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937    0.5800   -0.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350    2.2164   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4572    0.0635   -1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8249    2.1060   -2.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8872    1.2428    1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5098    2.0519   -0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8027   -1.2884   -0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2753   -0.1528    2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20  3  1  0
 15  9  1  0
  3 25  1  1
  2 23  1  0
  2 24  1  0
  1 22  1  0
  5 26  1  1
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  6
 17 37  1  0
 18 38  1  1
 19 39  1  0
 20 40  1  6
 21 41  1  0
M  END


  Mrv1572004221606332D          

 26 27  0  0  1  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  8  1  2  0  0  0  0
  8  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  6  0  0  0
 13 19  1  6  0  0  0
 20  6  1  0  0  0  0
 14 20  1  1  0  0  0
 21 10  1  0  0  0  0
 21 14  1  0  0  0  0
 10 22  1  6  0  0  0
 11 23  1  1  0  0  0
 12 24  1  6  0  0  0
 13 25  1  1  0  0  0
 14 26  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0071787

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(CO)O[C@@]([H])(OCCC2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
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

> <INCHI_KEY>
ILRCGYURZSFMEG-RKQHYHRCSA-N

> <FORMULA>
C14H20O7

> <MOLECULAR_WEIGHT>
300.307

> <EXACT_MASS>
300.120902984

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
29.851578442331345

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.16

> <JCHEM_LOGP>
-0.5798437136666671

> <ALOGPS_LOGS>
-1.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.214772191222135

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.19801883294772

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083411880946

> <JCHEM_POLAR_SURFACE_AREA>
119.61000000000001

> <JCHEM_REFRACTIVITY>
72.0231

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
salidroside

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-APR-16         0                                  
HETATM    1  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -10.669   1.540   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -2.667  10.780   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0      -9.336   0.770   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0      -8.002  -1.540   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0      -6.668   0.770   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0      -5.335  -1.540   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0      -4.001   0.770   0.000  0.00  0.00           H+0
CONECT    1    3    8                                                       
CONECT    2    4    8                                                       
CONECT    3    1    9                                                       
CONECT    4    2    9                                                       
CONECT    5    6    8                                                       
CONECT    6    5   20                                                       
CONECT    7   10   15                                                       
CONECT    8    1    2    5                                                  
CONECT    9    3    4   16                                                  
CONECT   10    7   11   21   22                                             
CONECT   11   10   12   17   23                                             
CONECT   12   11   13   18   24                                             
CONECT   13   12   14   19   25                                             
CONECT   14   13   20   21   26                                             
CONECT   15    7                                                            
CONECT   16    9                                                            
CONECT   17   11                                                            
CONECT   18   12                                                            
CONECT   19   13                                                            
CONECT   20    6   14                                                       
CONECT   21   10   14                                                       
CONECT   22   10                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

View in JSmol

Synonyms

Value	Source
p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside	Kegg
Tyrosol glucoside	Kegg
p-Hydroxyphenethyl alcohol 1-O-b-D-glucoside	Generator
p-Hydroxyphenethyl alcohol 1-O-β-D-glucoside	Generator
Rhodosin	MeSH
Rhodioloside	MeSH
Sallidroside	MeSH
Salidroside	MeSH

Chemical Formula

C₁₄H₂₀O₇

Average Mass

300.3070 Da

Monoisotopic Mass

300.12090 Da

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol

Traditional Name

salidroside

CAS Registry Number

Not Available

SMILES

[H][C@]1(CO)O[C@@]([H])(OCCC2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

InChI Identifier

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

InChI Key

ILRCGYURZSFMEG-RKQHYHRCSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aristolochia cucurbitifolia	LOTUS Database	35616633
Asystasia gangetica	LOTUS Database	35616633
Betula pendula	LOTUS Database	35616633
Buddleja officinalis	LOTUS Database	35616633
Campylanthus glaber	LOTUS Database	35616633
Carica papaya	LOTUS Database	35616633
Castilleja densiflora	LOTUS Database	35616633
Cistanche salsa	LOTUS Database	35616633
Cistanche tubulosa	LOTUS Database	35616633
Croton chilensis	LOTUS Database	35616633
Epimedium diphyllum	LOTUS Database	35616633
Epimedium grandiflorum	LOTUS Database	35616633
Fernandoa adenophylla	LOTUS Database	35616633
Forsythia suspensa	LOTUS Database	35616633
Fraxinus formosana	LOTUS Database	35616633
Fraxinus griffithii	LOTUS Database	35616633
Fraxinus malacophylla	LOTUS Database	35616633
Hydrangea chinensis	LOTUS Database	35616633
Hydrangea macrophylla	LOTUS Database	35616633
Hypericum erectum	LOTUS Database	35616633
Ipomoea nil	LOTUS Database	35616633
Isoplexis chalcantha	LOTUS Database	35616633
Lamiastrum galeobdolon	LOTUS Database	35616633
Linaria japonica	LOTUS Database	35616633
Millingtonia hortensis	LOTUS Database	35616633
Pedicularis plicata	LOTUS Database	35616633
Penstemon acuminatus	LOTUS Database	35616633
Penstemon secundiflorus	LOTUS Database	35616633
Peperomia leptostachya	LOTUS Database	35616633
Peucedanum japonicum	LOTUS Database	35616633
Phillyrea latifolia	LOTUS Database	35616633
Plantago australis	LOTUS Database	35616633
Polypremum procumbens	LOTUS Database	35616633
Rehmannia glutinosa	LOTUS Database	35616633
Rhodiola coccinea	LOTUS Database	35616633
Rhodiola crenulata	LOTUS Database	35616633
Rhodiola fastigiata	LOTUS Database	35616633
Rhodiola heterodonta	LOTUS Database	35616633
Rhodiola quadrifida	LOTUS Database	35616633
Rhodiola rosea	LOTUS Database	35616633
Rhodiola sachalinensis	LOTUS Database	35616633
Rhodiola sacra	LOTUS Database	35616633
Ricciocarpos natans	LOTUS Database	35616633
Salix fragilis	LOTUS Database	35616633
Salix myrsinifolia	LOTUS Database	35616633
Salix phylicifolia	LOTUS Database	35616633
Salix x rubra	LOTUS Database	35616633
Sargentodoxa cuneata	LOTUS Database	35616633
Scrophularia umbrosa	LOTUS Database	35616633
Scutellaria baicalensis	LOTUS Database	35616633
Stachys byzantina	LOTUS Database	35616633
Strychnos nux-vomica	LOTUS Database	35616633
Syringa reticulata	LOTUS Database	35616633
Syringa vulgaris	LOTUS Database	35616633
Viburnum dilatatum	LOTUS Database	35616633
Volkameria inermis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Tyrosol derivative
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Secondary alcohol
Polyol
Oxacycle
Organoheterocyclic compound
Acetal
Hydrocarbon derivative
Alcohol
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

glycoside (CHEBI:9009 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.2	ALOGPS
logP	-0.58	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	10.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	119.61 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	72.02 m³·mol⁻¹	ChemAxon
Polarizability	29.85 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00031274

Chemspider ID

Not Available

KEGG Compound ID

C06046

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Salidroside

METLIN ID

Not Available

PubChem Compound

159278

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Rhodioloside (NP0071787)

MOL for NP0071787 ((-)-Rhodioloside)

3D MOL for NP0071787 ((-)-Rhodioloside)

3D SDF for NP0071787 ((-)-Rhodioloside)

3D-SDF for NP0071787 ((-)-Rhodioloside)

PDB for NP0071787 ((-)-Rhodioloside)

3D PDB for NP0071787 ((-)-Rhodioloside)

SMILES for NP0071787 ((-)-Rhodioloside)

INCHI for NP0071787 ((-)-Rhodioloside)

Structure for NP0071787 ((-)-Rhodioloside)

3D Structure for NP0071787 ((-)-Rhodioloside)