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Showing metabocard for Phlorizin (HMDB0036634)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 21:47:48 UTC
Update Date2022-03-07 02:55:00 UTC
HMDB IDHMDB0036634
Secondary Accession Numbers
  • HMDB36634
Metabolite Identification
Common NamePhlorizin
DescriptionPhlorizin, also known as phlorizoside or phlorrhizen, belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Phlorizin (also referred to as phloridzin; chemical name phloretin-2'-‚âà√≠‚Äö√¢¬ß-D-glucopyranoside) is a glucoside of phloretin, a dihydrochalcone, a family of bicyclic flavonoids, which in turn is a subgroup in the diverse phenylpropanoid synthesis pathway in plants. In humans, phlorizin is involved in lactose degradation. Phlorizin is a bitter tasting compound. phlorizin is found, on average, in the highest concentration in a few different foods, such as mexican oregano, european plums, and apples and in a lower concentration in pomegranates and apricots. phlorizin has also been detected, but not quantified, in several different foods, such as epazotes, durians, chinese broccoli, sesames, and sweet potato. This could make phlorizin a potential biomarker for the consumption of these foods. It is of sweet taste and contains four molecules of water in the crystal. Phlorizin is found primarily in unripe Malus (apple), root bark of apple, trace amounts have been found in strawberry. It is poorly soluble in ether and cold water, but soluble in ethanol and hot water. Closely related species, such as pear (Pyrus communis), cherry, and other fruit trees in the Rosaceae do not contain phloridzin. Phlorizin was studied as a potential pharmaceutical treatment for type 2 diabetes, but has since been superseded by more selective and more promising synthetic analogs, such as empagliflozin, canagliflozin and dapagliflozin. Phlorizin is a competitive inhibitor of SGLT1 and SGLT2 because it competes with D-glucose for binding to the carrier; this reduces renal glucose transport, lowering the amount of glucose in the blood. Phlorizin is not an effective drug because when orally consumed, it is nearly entirely converted into phloretin by hydrolytic enzymes in the small intestine. Above 200 °C, it decomposes.
Structure
Data?1563862900
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0036634 (Phlorizin)


  Mrv1652305271900262D          

 31 33  0  0  0  0            999 V2000
   -0.7131   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    1.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156    1.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    2.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    2.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -1.6567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4280   -2.4817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1430   -2.8942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8580   -2.4817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8580   -1.6567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1430   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -3.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2881   -1.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  6  0  0  0
 23 24  1  0  0  0  0
 23 28  1  1  0  0  0
 24 25  1  0  0  0  0
 24 29  1  6  0  0  0
 25 26  1  0  0  0  0
 25 30  1  1  0  0  0
 30 31  1  0  0  0  0
 21  1  1  1  0  0  0
M  END
Download

3D MOL for HMDB0036634 (Phlorizin)

HMDB0036634
     RDKit          3D
Phlorizin
 55 57  0  0  0  0  0  0  0  0999 V2000
    0.3665   -0.8901    0.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1234   -0.1006   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5562   -0.2827   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329    0.6123    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666    0.4204    0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    1.1680    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8485    1.0259    0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433    0.1026    1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7308   -0.0245    1.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4525   -0.6539    1.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -0.5020    1.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4770    0.8266   -1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979    1.7090   -2.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    1.7727   -2.2122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    2.5976   -3.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653    2.5519   -3.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    3.4162   -4.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973    1.6644   -2.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394    0.8041   -1.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6147   -0.0858   -0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -0.2495   -0.7199 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4149    0.0527    0.5741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6723   -0.5062    0.7899 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3998    0.1413    1.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6759    0.0127    3.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4485   -1.9624    1.1346 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6460   -2.6658    1.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5550   -2.5520    0.1035 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3071   -2.8142    0.6997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2868   -1.6826   -1.0911 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4363   -1.6721   -1.8779 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315   -0.3314   -1.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330   -1.3355    0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    0.3434    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224    1.6553    0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1710    1.9158   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5736    1.6228   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -0.6591    0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8116   -1.3895    2.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3536   -1.0914    2.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    1.7693   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    3.2841   -3.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481    4.3190   -3.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640    1.7077   -2.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155    0.4396   -1.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3225   -0.4088   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6538    1.1920    1.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3553   -0.4129    2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1868    0.4096    3.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0062   -1.9684    2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1824   -2.6223    0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9566   -3.5368   -0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2753   -2.4968    1.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4736   -2.1223   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563   -2.5174   -2.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 11  5  1  0
 19 12  1  0
 30 21  1  0
  3 32  1  0
  3 33  1  0
  4 34  1  0
  4 35  1  0
  6 36  1  0
  7 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 14 41  1  0
 15 42  1  0
 17 43  1  0
 18 44  1  0
 21 45  1  6
 23 46  1  6
 24 47  1  0
 24 48  1  0
 25 49  1  0
 26 50  1  1
 27 51  1  0
 28 52  1  6
 29 53  1  0
 30 54  1  6
 31 55  1  0
M  END
Download

3D SDF for HMDB0036634 (Phlorizin)


  Mrv1652305271900262D          

 31 33  0  0  0  0            999 V2000
   -0.7131   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    1.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156    1.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    2.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    2.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -1.6567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4280   -2.4817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1430   -2.8942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8580   -2.4817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8580   -1.6567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1430   -1.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -3.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2881   -1.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  6  0  0  0
 23 24  1  0  0  0  0
 23 28  1  1  0  0  0
 24 25  1  0  0  0  0
 24 29  1  6  0  0  0
 25 26  1  0  0  0  0
 25 30  1  1  0  0  0
 30 31  1  0  0  0  0
 21  1  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0036634

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1

> <INCHI_KEY>
IOUVKUPGCMBWBT-QNDFHXLGSA-N

> <FORMULA>
C21H24O10

> <MOLECULAR_WEIGHT>
436.4093

> <EXACT_MASS>
436.136946988

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
42.35851023236527

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
0.9774724393333329

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.353052451271898

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.869757605270291

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092346304827

> <JCHEM_POLAR_SURFACE_AREA>
177.14

> <JCHEM_REFRACTIVITY>
105.85169999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phlorizin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0036634 (Phlorizin)

HMDB0036634
     RDKit          3D
Phlorizin
 55 57  0  0  0  0  0  0  0  0999 V2000
    0.3665   -0.8901    0.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1234   -0.1006   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5562   -0.2827   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329    0.6123    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666    0.4204    0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    1.1680    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8485    1.0259    0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433    0.1026    1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7308   -0.0245    1.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4525   -0.6539    1.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -0.5020    1.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4770    0.8266   -1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979    1.7090   -2.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    1.7727   -2.2122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    2.5976   -3.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653    2.5519   -3.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    3.4162   -4.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973    1.6644   -2.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394    0.8041   -1.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6147   -0.0858   -0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -0.2495   -0.7199 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4149    0.0527    0.5741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6723   -0.5062    0.7899 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3998    0.1413    1.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6759    0.0127    3.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4485   -1.9624    1.1346 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6460   -2.6658    1.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5550   -2.5520    0.1035 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3071   -2.8142    0.6997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2868   -1.6826   -1.0911 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4363   -1.6721   -1.8779 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315   -0.3314   -1.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330   -1.3355    0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    0.3434    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224    1.6553    0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1710    1.9158   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5736    1.6228   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -0.6591    0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8116   -1.3895    2.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3536   -1.0914    2.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    1.7693   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    3.2841   -3.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481    4.3190   -3.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640    1.7077   -2.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155    0.4396   -1.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3225   -0.4088   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6538    1.1920    1.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3553   -0.4129    2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1868    0.4096    3.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0062   -1.9684    2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1824   -2.6223    0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9566   -3.5368   -0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2753   -2.4968    1.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4736   -2.1223   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563   -2.5174   -2.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 11  5  1  0
 19 12  1  0
 30 21  1  0
  3 32  1  0
  3 33  1  0
  4 34  1  0
  4 35  1  0
  6 36  1  0
  7 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 14 41  1  0
 15 42  1  0
 17 43  1  0
 18 44  1  0
 21 45  1  6
 23 46  1  6
 24 47  1  0
 24 48  1  0
 25 49  1  0
 26 50  1  1
 27 51  1  0
 28 52  1  6
 29 53  1  0
 30 54  1  6
 31 55  1  0
M  END
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PDB for HMDB0036634 (Phlorizin)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      -1.331  -2.323   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.331  -0.783   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.666  -0.013   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.666   1.527   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.000   2.298   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.331   2.298   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.001   1.527   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.001  -0.013   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.336  -0.783   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.336  -2.323   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       1.336   2.298   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.668  -0.013   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.668   1.527   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.003   2.298   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.337   1.527   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.670   2.298   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.003   3.838   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.337   4.608   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.670   3.838   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.004   4.608   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.666  -3.093   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.666  -4.633   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.000  -5.403   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.335  -4.633   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.335  -3.093   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -4.000  -2.323   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -1.331  -5.403   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -4.000  -6.943   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -6.670  -5.403   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -6.670  -2.323   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -8.004  -3.093   0.000  0.00  0.00           O+0
CONECT    1    2   21                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    2    7    9                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9                                                            
CONECT   11    7                                                            
CONECT   12    9   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15   19                                                       
CONECT   17   14   18                                                       
CONECT   18   17   19                                                       
CONECT   19   16   18   20                                                  
CONECT   20   19                                                            
CONECT   21   22   26    1                                                  
CONECT   22   21   23   27                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   29                                                  
CONECT   25   24   26   30                                                  
CONECT   26   21   25                                                       
CONECT   27   22                                                            
CONECT   28   23                                                            
CONECT   29   24                                                            
CONECT   30   25   31                                                       
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END
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3D PDB for HMDB0036634 (Phlorizin)

COMPND    HMDB0036634
HETATM    1  O1  UNL     1       0.367  -0.890   0.092  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.123  -0.101  -0.605  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.556  -0.283  -0.385  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.133   0.612   0.680  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.567   0.420   0.893  1.00  0.00           C  
HETATM    6  C5  UNL     1       5.484   1.168   0.188  1.00  0.00           C  
HETATM    7  C6  UNL     1       6.849   1.026   0.349  1.00  0.00           C  
HETATM    8  C7  UNL     1       7.343   0.103   1.247  1.00  0.00           C  
HETATM    9  O2  UNL     1       8.731  -0.025   1.393  1.00  0.00           O  
HETATM   10  C8  UNL     1       6.452  -0.654   1.960  1.00  0.00           C  
HETATM   11  C9  UNL     1       5.075  -0.502   1.790  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.477   0.827  -1.482  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.198   1.709  -2.247  1.00  0.00           C  
HETATM   14  O3  UNL     1       2.506   1.773  -2.212  1.00  0.00           O  
HETATM   15  C12 UNL     1       0.503   2.598  -3.117  1.00  0.00           C  
HETATM   16  C13 UNL     1      -0.865   2.552  -3.169  1.00  0.00           C  
HETATM   17  O4  UNL     1      -1.556   3.416  -4.017  1.00  0.00           O  
HETATM   18  C14 UNL     1      -1.597   1.664  -2.399  1.00  0.00           C  
HETATM   19  C15 UNL     1      -0.939   0.804  -1.558  1.00  0.00           C  
HETATM   20  O5  UNL     1      -1.615  -0.086  -0.781  1.00  0.00           O  
HETATM   21  C16 UNL     1      -2.983  -0.250  -0.720  1.00  0.00           C  
HETATM   22  O6  UNL     1      -3.415   0.053   0.574  1.00  0.00           O  
HETATM   23  C17 UNL     1      -4.672  -0.506   0.790  1.00  0.00           C  
HETATM   24  C18 UNL     1      -5.400   0.141   1.921  1.00  0.00           C  
HETATM   25  O7  UNL     1      -4.676   0.013   3.119  1.00  0.00           O  
HETATM   26  C19 UNL     1      -4.449  -1.962   1.135  1.00  0.00           C  
HETATM   27  O8  UNL     1      -5.646  -2.666   1.208  1.00  0.00           O  
HETATM   28  C20 UNL     1      -3.555  -2.552   0.104  1.00  0.00           C  
HETATM   29  O9  UNL     1      -2.307  -2.814   0.700  1.00  0.00           O  
HETATM   30  C21 UNL     1      -3.287  -1.683  -1.091  1.00  0.00           C  
HETATM   31  O10 UNL     1      -4.436  -1.672  -1.878  1.00  0.00           O  
HETATM   32  H1  UNL     1       3.131  -0.331  -1.323  1.00  0.00           H  
HETATM   33  H2  UNL     1       2.733  -1.336   0.041  1.00  0.00           H  
HETATM   34  H3  UNL     1       2.638   0.343   1.662  1.00  0.00           H  
HETATM   35  H4  UNL     1       2.822   1.655   0.503  1.00  0.00           H  
HETATM   36  H5  UNL     1       5.171   1.916  -0.536  1.00  0.00           H  
HETATM   37  H6  UNL     1       7.574   1.623  -0.213  1.00  0.00           H  
HETATM   38  H7  UNL     1       9.292  -0.659   0.845  1.00  0.00           H  
HETATM   39  H8  UNL     1       6.812  -1.389   2.676  1.00  0.00           H  
HETATM   40  H9  UNL     1       4.354  -1.091   2.346  1.00  0.00           H  
HETATM   41  H10 UNL     1       3.412   1.769  -2.143  1.00  0.00           H  
HETATM   42  H11 UNL     1       1.094   3.284  -3.711  1.00  0.00           H  
HETATM   43  H12 UNL     1      -1.848   4.319  -3.680  1.00  0.00           H  
HETATM   44  H13 UNL     1      -2.664   1.708  -2.512  1.00  0.00           H  
HETATM   45  H14 UNL     1      -3.516   0.440  -1.382  1.00  0.00           H  
HETATM   46  H15 UNL     1      -5.323  -0.409  -0.121  1.00  0.00           H  
HETATM   47  H16 UNL     1      -5.654   1.192   1.751  1.00  0.00           H  
HETATM   48  H17 UNL     1      -6.355  -0.413   2.063  1.00  0.00           H  
HETATM   49  H18 UNL     1      -5.187   0.410   3.863  1.00  0.00           H  
HETATM   50  H19 UNL     1      -4.006  -1.968   2.161  1.00  0.00           H  
HETATM   51  H20 UNL     1      -6.182  -2.622   0.390  1.00  0.00           H  
HETATM   52  H21 UNL     1      -3.957  -3.537  -0.191  1.00  0.00           H  
HETATM   53  H22 UNL     1      -2.275  -2.497   1.616  1.00  0.00           H  
HETATM   54  H23 UNL     1      -2.474  -2.122  -1.692  1.00  0.00           H  
HETATM   55  H24 UNL     1      -4.556  -2.517  -2.349  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4   32   33
CONECT    4    5   34   35
CONECT    5    6    6   11
CONECT    6    7   36
CONECT    7    8    8   37
CONECT    8    9   10
CONECT    9   38
CONECT   10   11   11   39
CONECT   11   40
CONECT   12   13   13   19
CONECT   13   14   15
CONECT   14   41
CONECT   15   16   16   42
CONECT   16   17   18
CONECT   17   43
CONECT   18   19   19   44
CONECT   19   20
CONECT   20   21
CONECT   21   22   30   45
CONECT   22   23
CONECT   23   24   26   46
CONECT   24   25   47   48
CONECT   25   49
CONECT   26   27   28   50
CONECT   27   51
CONECT   28   29   30   52
CONECT   29   53
CONECT   30   31   54
CONECT   31   55
END
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SMILES for HMDB0036634 (Phlorizin)

OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
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INCHI for HMDB0036634 (Phlorizin)

InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
FloridzinChEBI
Phloretin 2'-glucosideChEBI
PhlorhizinChEBI
PhloridzinChEBI
PhlorizosideChEBI
Phloretin-2'-beta-glucosideHMDB
Phloretin-2'-O-beta-glucosideHMDB
PhloridzinumHMDB
PhloridzosidHMDB
PhlorizineHMDB
PhlorrhizenHMDB
PhlorrhizinHMDB
Chemical FormulaC21H24O10
Average Molecular Weight436.4093
Monoisotopic Molecular Weight436.136946988
IUPAC Name1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
Traditional Namephlorizin
CAS Registry Number60-81-1
SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
InChI KeyIOUVKUPGCMBWBT-QNDFHXLGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glycosides
Alternative Parents
Substituents
  • Flavonoid o-glycoside
  • 2'-hydroxy-dihydrochalcone
  • Linear 1,3-diarylpropanoid
  • Cinnamylphenol
  • Phenolic glycoside
  • Alkyl-phenylketone
  • Hexose monosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Butyrophenone
  • Phenylketone
  • Aryl alkyl ketone
  • Aryl ketone
  • Benzoyl
  • Resorcinol
  • Phenoxy compound
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Monosaccharide
  • Oxane
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Primary alcohol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point110.0 °CNot Available
Boiling Point769.95 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1 mg/mL at 22 °CNot Available
LogP0.452 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.21 g/LALOGPS
logP0.44ALOGPS
logP0.98ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)7.87ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area177.14 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity105.85 m³·mol⁻¹ChemAxon
Polarizability42.36 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+199.95231661259
DarkChem[M-H]-192.28331661259
DeepCCS[M+H]+190.68230932474
DeepCCS[M-H]-188.28630932474
DeepCCS[M-2H]-221.75730932474
DeepCCS[M+Na]+196.75830932474
AllCCS[M+H]+202.632859911
AllCCS[M+H-H2O]+200.232859911
AllCCS[M+NH4]+204.832859911
AllCCS[M+Na]+205.432859911
AllCCS[M-H]-198.032859911
AllCCS[M+Na-2H]-198.732859911
AllCCS[M+HCOO]-199.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PhlorizinOC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4834.8Standard polar33892256
PhlorizinOC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3875.7Standard non polar33892256
PhlorizinOC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4140.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Phlorizin,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3847.1Semi standard non polar33892256
Phlorizin,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C13847.4Semi standard non polar33892256
Phlorizin,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C13904.8Semi standard non polar33892256
Phlorizin,1TMS,isomer #4C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C13808.9Semi standard non polar33892256
Phlorizin,1TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O3861.6Semi standard non polar33892256
Phlorizin,1TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O3852.8Semi standard non polar33892256
Phlorizin,1TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@H]1O3846.6Semi standard non polar33892256
Phlorizin,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3720.3Semi standard non polar33892256
Phlorizin,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C13718.3Semi standard non polar33892256
Phlorizin,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C13731.9Semi standard non polar33892256
Phlorizin,2TMS,isomer #12C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C13809.1Semi standard non polar33892256
Phlorizin,2TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C13812.7Semi standard non polar33892256
Phlorizin,2TMS,isomer #14C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C13824.1Semi standard non polar33892256
Phlorizin,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C13773.9Semi standard non polar33892256
Phlorizin,2TMS,isomer #16C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C13700.1Semi standard non polar33892256
Phlorizin,2TMS,isomer #17C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13694.0Semi standard non polar33892256
Phlorizin,2TMS,isomer #18C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13710.2Semi standard non polar33892256
Phlorizin,2TMS,isomer #19C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@@H]1CO3765.6Semi standard non polar33892256
Phlorizin,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3794.8Semi standard non polar33892256
Phlorizin,2TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O3788.8Semi standard non polar33892256
Phlorizin,2TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C3771.5Semi standard non polar33892256
Phlorizin,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3701.6Semi standard non polar33892256
Phlorizin,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3782.9Semi standard non polar33892256
Phlorizin,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3766.5Semi standard non polar33892256
Phlorizin,2TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3783.5Semi standard non polar33892256
Phlorizin,2TMS,isomer #7C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13781.4Semi standard non polar33892256
Phlorizin,2TMS,isomer #8C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C13733.6Semi standard non polar33892256
Phlorizin,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C13725.1Semi standard non polar33892256
Phlorizin,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3688.7Semi standard non polar33892256
Phlorizin,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3665.4Semi standard non polar33892256
Phlorizin,3TMS,isomer #11C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3641.1Semi standard non polar33892256
Phlorizin,3TMS,isomer #12C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3674.4Semi standard non polar33892256
Phlorizin,3TMS,isomer #13C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3731.5Semi standard non polar33892256
Phlorizin,3TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3770.2Semi standard non polar33892256
Phlorizin,3TMS,isomer #15C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3735.1Semi standard non polar33892256
Phlorizin,3TMS,isomer #16C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13708.0Semi standard non polar33892256
Phlorizin,3TMS,isomer #17C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13690.3Semi standard non polar33892256
Phlorizin,3TMS,isomer #18C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13703.8Semi standard non polar33892256
Phlorizin,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C13738.3Semi standard non polar33892256
Phlorizin,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3666.9Semi standard non polar33892256
Phlorizin,3TMS,isomer #20C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C13684.9Semi standard non polar33892256
Phlorizin,3TMS,isomer #21C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13674.6Semi standard non polar33892256
Phlorizin,3TMS,isomer #22C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13687.1Semi standard non polar33892256
Phlorizin,3TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C13647.7Semi standard non polar33892256
Phlorizin,3TMS,isomer #24C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C13649.0Semi standard non polar33892256
Phlorizin,3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C13664.0Semi standard non polar33892256
Phlorizin,3TMS,isomer #26C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C13744.3Semi standard non polar33892256
Phlorizin,3TMS,isomer #27C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C13737.8Semi standard non polar33892256
Phlorizin,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C13722.1Semi standard non polar33892256
Phlorizin,3TMS,isomer #29C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C13757.5Semi standard non polar33892256
Phlorizin,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3683.0Semi standard non polar33892256
Phlorizin,3TMS,isomer #30C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13699.9Semi standard non polar33892256
Phlorizin,3TMS,isomer #31C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13717.9Semi standard non polar33892256
Phlorizin,3TMS,isomer #32C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13639.4Semi standard non polar33892256
Phlorizin,3TMS,isomer #33C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13647.4Semi standard non polar33892256
Phlorizin,3TMS,isomer #34C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13656.3Semi standard non polar33892256
Phlorizin,3TMS,isomer #35C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C3714.5Semi standard non polar33892256
Phlorizin,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3650.5Semi standard non polar33892256
Phlorizin,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3685.9Semi standard non polar33892256
Phlorizin,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3703.0Semi standard non polar33892256
Phlorizin,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3768.7Semi standard non polar33892256
Phlorizin,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3742.3Semi standard non polar33892256
Phlorizin,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3768.7Semi standard non polar33892256
Phlorizin,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O3684.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3647.0Semi standard non polar33892256
Phlorizin,4TMS,isomer #11C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3696.1Semi standard non polar33892256
Phlorizin,4TMS,isomer #12C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3671.9Semi standard non polar33892256
Phlorizin,4TMS,isomer #13C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3706.3Semi standard non polar33892256
Phlorizin,4TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3709.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #15C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3745.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #16C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3716.6Semi standard non polar33892256
Phlorizin,4TMS,isomer #17C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3648.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #18C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3690.8Semi standard non polar33892256
Phlorizin,4TMS,isomer #19C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3656.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3674.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #20C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3740.1Semi standard non polar33892256
Phlorizin,4TMS,isomer #21C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13657.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #22C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13655.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #23C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C13711.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #24C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13656.6Semi standard non polar33892256
Phlorizin,4TMS,isomer #25C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13706.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #26C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13701.9Semi standard non polar33892256
Phlorizin,4TMS,isomer #27C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13663.6Semi standard non polar33892256
Phlorizin,4TMS,isomer #28C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13666.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #29C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13662.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3649.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #30C[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C13638.9Semi standard non polar33892256
Phlorizin,4TMS,isomer #31C[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C13703.7Semi standard non polar33892256
Phlorizin,4TMS,isomer #32C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13675.0Semi standard non polar33892256
Phlorizin,4TMS,isomer #33C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13678.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #34C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13681.0Semi standard non polar33892256
Phlorizin,4TMS,isomer #35C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13642.4Semi standard non polar33892256
Phlorizin,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3687.6Semi standard non polar33892256
Phlorizin,4TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3663.2Semi standard non polar33892256
Phlorizin,4TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3651.3Semi standard non polar33892256
Phlorizin,4TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3670.2Semi standard non polar33892256
Phlorizin,4TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3637.5Semi standard non polar33892256
Phlorizin,4TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3675.2Semi standard non polar33892256
Phlorizin,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3687.1Semi standard non polar33892256
Phlorizin,5TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3681.1Semi standard non polar33892256
Phlorizin,5TMS,isomer #11C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3676.8Semi standard non polar33892256
Phlorizin,5TMS,isomer #12C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3701.5Semi standard non polar33892256
Phlorizin,5TMS,isomer #13C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3685.0Semi standard non polar33892256
Phlorizin,5TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3728.2Semi standard non polar33892256
Phlorizin,5TMS,isomer #15C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3704.4Semi standard non polar33892256
Phlorizin,5TMS,isomer #16C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C)=C13655.4Semi standard non polar33892256
Phlorizin,5TMS,isomer #17C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C13714.4Semi standard non polar33892256
Phlorizin,5TMS,isomer #18C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C13705.1Semi standard non polar33892256
Phlorizin,5TMS,isomer #19C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13703.6Semi standard non polar33892256
Phlorizin,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3685.3Semi standard non polar33892256
Phlorizin,5TMS,isomer #20C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13672.7Semi standard non polar33892256
Phlorizin,5TMS,isomer #21C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13688.0Semi standard non polar33892256
Phlorizin,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3701.1Semi standard non polar33892256
Phlorizin,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3646.6Semi standard non polar33892256
Phlorizin,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3659.0Semi standard non polar33892256
Phlorizin,5TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3655.8Semi standard non polar33892256
Phlorizin,5TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3658.0Semi standard non polar33892256
Phlorizin,5TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3687.9Semi standard non polar33892256
Phlorizin,5TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3666.5Semi standard non polar33892256
Phlorizin,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3684.8Semi standard non polar33892256
Phlorizin,6TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3695.3Semi standard non polar33892256
Phlorizin,6TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3695.5Semi standard non polar33892256
Phlorizin,6TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3670.7Semi standard non polar33892256
Phlorizin,6TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3689.8Semi standard non polar33892256
Phlorizin,6TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3718.5Semi standard non polar33892256
Phlorizin,6TMS,isomer #7C[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13707.6Semi standard non polar33892256
Phlorizin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4073.8Semi standard non polar33892256
Phlorizin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C14079.5Semi standard non polar33892256
Phlorizin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C14135.1Semi standard non polar33892256
Phlorizin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C14047.9Semi standard non polar33892256
Phlorizin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O4087.6Semi standard non polar33892256
Phlorizin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O4077.4Semi standard non polar33892256
Phlorizin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@H]1O4073.3Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4200.2Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C14202.6Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C14202.9Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C14244.8Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C14239.3Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C14244.6Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C14268.5Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C14194.2Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14188.6Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14193.4Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@@H]1CO4176.7Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4229.0Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O4196.4Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4180.3Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4193.4Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4195.3Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4177.5Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4197.3Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C14267.3Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C14267.1Semi standard non polar33892256
Phlorizin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C14206.3Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4374.3Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4329.7Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4304.8Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4333.5Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4277.9Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4318.9Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4282.9Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C14407.0Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C14404.0Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C14398.3Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C14508.9Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4424.8Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C14438.6Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14438.9Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14442.4Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C14317.6Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C14320.9Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C14332.7Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1C(=O)CCC1=CC=C(O)C=C14329.1Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C14328.6Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C14413.5Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C14342.8Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4332.6Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14406.5Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14405.1Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14296.3Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14301.0Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14308.7Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C4266.0Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4320.6Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4340.0Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4397.9Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4348.6Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4332.4Semi standard non polar33892256
Phlorizin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4353.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4621.2Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4460.0Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4523.3Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4514.7Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4532.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4431.9Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4462.5Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4441.5Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4453.6Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4489.7Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4467.6Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4500.4Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4436.1Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C14480.2Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C14483.4Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C14636.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)=C14487.3Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14636.2Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14640.3Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14542.1Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14541.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14549.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4490.2Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C14425.4Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1C(=O)CCC1=CC=C(O)C=C14407.9Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C14507.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14501.2Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14514.0Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C14440.6Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4506.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4561.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4557.7Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4562.0Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4446.8Semi standard non polar33892256
Phlorizin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4478.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Phlorizin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0gb9-5913400000-47cf252550936db167d62017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phlorizin GC-MS (3 TMS) - 70eV, Positivesplash10-000i-4760119000-72f18a2449892aa53ec32017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phlorizin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , negative-QTOFsplash10-00di-0090000000-76b60140aba03098ef8d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , negative-QTOFsplash10-00di-0090000000-26c8a10836d524559b7a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin LC-ESI-QTOF , positive-QTOFsplash10-004i-0092000000-90a57e1f22eef000cfc22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin LC-ESI-QTOF , positive-QTOFsplash10-004i-0192000000-569b92df53d5414d6b9c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin LC-ESI-QTOF , positive-QTOFsplash10-00or-0593000000-dd46ab71f853e528f8092017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin LC-ESI-ITFT , positive-QTOFsplash10-014i-0029500000-83a7b6481f9411db0c2a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin LC-ESI-ITFT , positive-QTOFsplash10-014l-0029400000-1e2ddb25131a89de24732017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin LC-ESI-ITFT , positive-QTOFsplash10-014l-0029400000-9b87e9e9e7047311fe432017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin LC-ESI-ITFT , positive-QTOFsplash10-014l-0129300000-85b4094b3a111acabac52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , positive-QTOFsplash10-014i-0019700000-17beed8e63a40dbe0fad2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , positive-QTOFsplash10-014i-0019700000-e6f57c85d791f73ddac42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , positive-QTOFsplash10-014i-0019800000-04f42cab2c73ebc8bfdd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , positive-QTOFsplash10-014i-0019700000-83eac943753547575e742017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , positive-QTOFsplash10-0002-0193100000-60d4307e81921a8848812017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin Linear Ion Trap , positive-QTOFsplash10-0002-0193100000-4ef83973bcb1d290871b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin 10V, Negative-QTOFsplash10-00di-0090100000-a7a243468c02717395712021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin 20V, Negative-QTOFsplash10-00di-0090000000-36c0b1e835cbef4b2ba62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin 10V, Positive-QTOFsplash10-004i-0092000000-3e89a8c85f5d700f5b872021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phlorizin 10V, Negative-QTOFsplash10-00di-0090200000-410af542557a682770cc2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phlorizin 10V, Positive-QTOFsplash10-00p0-0290600000-83064b80a026d781f15a2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phlorizin 20V, Positive-QTOFsplash10-0pdi-0980000000-825463dfd002813e90b32016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phlorizin 40V, Positive-QTOFsplash10-0pdi-1930000000-d13d22201525f5a889b72016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phlorizin 10V, Negative-QTOFsplash10-0079-1361900000-f4ac825585d69e78246e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phlorizin 20V, Negative-QTOFsplash10-00di-1591100000-4099114d9b7e981d8ed02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phlorizin 40V, Negative-QTOFsplash10-00xu-4790000000-c222fbd317f639c6ecf72016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB015554
KNApSAcK IDC00000990
Chemspider ID16498836
KEGG Compound IDC01604
BioCyc IDCPD-12447
BiGG IDNot Available
Wikipedia LinkPhlorizin
METLIN IDNot Available
PubChem Compound6072
PDB IDNot Available
ChEBI ID8113
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1665281
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .