NP-MRD: Showing NP-Card for Suncheonoside D (NP0014289)

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Record Information

Version

1.0

Created at

2021-01-05 23:30:06 UTC

Updated at

2021-07-15 17:16:53 UTC

NP-MRD ID

NP0014289

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Suncheonoside D

Provided By

NPAtlas

Description

Suncheonoside D is found in Streptomyces sp. It was first documented in 2015 (PMID: 26078114). Based on a literature review a significant number of articles have been published on Suncheonoside D (PMID: 34607398) (PMID: 34606198) (PMID: 34607343) (PMID: 34607305).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242119543D          

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M  END

     RDKit          3D

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 20 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 34  5  1  0
 16  8  1  0
 30 22  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  8 41  1  6
 10 42  1  1
 11 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  6
 13 47  1  0
 14 48  1  1
 15 49  1  0
 16 50  1  1
 17 51  1  0
 19 52  1  0
 19 53  1  0
 19 54  1  0
 22 55  1  6
 24 56  1  1
 25 57  1  0
 25 58  1  0
 25 59  1  0
 26 60  1  6
 27 61  1  0
 28 62  1  1
 29 63  1  0
 30 64  1  1
 31 65  1  0
 33 66  1  0
 33 67  1  0
 33 68  1  0
 35 69  1  6
 36 70  1  0
 36 71  1  0
 36 72  1  0
 37 73  1  0
 37 74  1  0
 37 75  1  0
M  END


  Mrv1652306242119543D          

 75 77  0  0  0  0            999 V2000
   -5.1116    2.9943    1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137    2.6547    1.5021 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5188    1.9080    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1269    1.6725   -0.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    1.5634    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016    0.3306    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -0.6096    1.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -1.5621    0.3676 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6447   -1.1697    0.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4997   -1.4355    1.1496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8458   -0.8278    0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6495   -2.9617    1.2273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6029   -3.3086    2.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138   -3.4981    1.6124 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3532   -4.8931    1.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935   -2.9816    0.7571 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1340   -3.8180   -0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337    0.0016    0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516   -1.3027    1.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5297    0.8801    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    0.5876    0.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480   -0.0763   -0.3545 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9855   -1.3051    0.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175   -2.1947   -0.5771 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8997   -3.4957   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0808   -1.5453   -1.8730 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8955   -2.4794   -2.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8491   -0.3085   -1.4375 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5306    0.2697   -2.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    0.6505   -0.8336 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5730    1.5709   -1.8744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    2.1267    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291    3.0959   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    2.5125   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6532    3.8083   -0.6123 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2211    4.5512   -1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    4.7176    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8359    2.8293    1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3840    2.4473    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1851    4.1025    0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451   -1.4593   -0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1086   -1.0695    2.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0701   -0.8158   -0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6270   -1.4045    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8945    0.2169    1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9417   -3.3407    0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4438   -4.2263    2.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1324   -3.2396    2.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6126   -5.3049    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -3.1615    1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7645   -3.4098   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.6326    2.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -1.1546    2.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332   -2.1153    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752   -0.3139   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832   -2.4694   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623   -4.2375   -1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986   -3.8934    0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -3.4382   -1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169   -1.2913   -2.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8330   -2.4292   -2.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5540   -0.5741   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3230   -0.2452   -3.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3631    1.2433   -0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    1.4081   -2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    3.2306   -1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968    4.0397    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    2.7079    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6302    3.6379   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660    5.2239   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4601    5.2660   -2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    3.8412   -2.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611    5.0844    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871    5.6316    0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970    4.1933    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 20 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 34  5  1  0  0  0  0
 16  8  1  0  0  0  0
 30 22  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  8 41  1  6  0  0  0
 10 42  1  1  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  6  0  0  0
 13 47  1  0  0  0  0
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 16 50  1  1  0  0  0
 17 51  1  0  0  0  0
 19 52  1  0  0  0  0
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 22 55  1  6  0  0  0
 24 56  1  1  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  6  0  0  0
 27 61  1  0  0  0  0
 28 62  1  1  0  0  0
 29 63  1  0  0  0  0
 30 64  1  1  0  0  0
 31 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 35 69  1  6  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0014289

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@@]1([H])[C@]([H])(OC2=C(C(=O)SC([H])([H])[H])C(=C(C(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])=C2C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C25H38O11S/c1-8(2)13-9(3)21(35-24-19(30)17(28)15(26)11(5)33-24)10(4)22(14(13)23(32)37-7)36-25-20(31)18(29)16(27)12(6)34-25/h8,11-12,15-20,24-31H,1-7H3/t11-,12-,15-,16-,17+,18+,19+,20+,24-,25-/m0/s1

> <INCHI_KEY>
JEZSIZIVEGJGBG-FGUYRURZSA-N

> <FORMULA>
C25H38O11S

> <MOLECULAR_WEIGHT>
546.63

> <EXACT_MASS>
546.213483218

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
56.25837405219904

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[3,5-dimethyl-2-(propan-2-yl)-4,6-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulfanyl)methanone

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
1.9537573196666682

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.444140938508603

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.912554471332706

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122003628896113

> <JCHEM_POLAR_SURFACE_AREA>
175.37

> <JCHEM_REFRACTIVITY>
133.8154

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.93e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-isopropyl-3,5-dimethyl-4,6-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulfanyl)methanone

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 75 77  0  0  0  0  0  0  0  0999 V2000
   -5.1116    2.9943    1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137    2.6547    1.5021 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5188    1.9080    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1269    1.6725   -0.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    1.5634    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016    0.3306    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -0.6096    1.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -1.5621    0.3676 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6447   -1.1697    0.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4997   -1.4355    1.1496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8458   -0.8278    0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6495   -2.9617    1.2273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6029   -3.3086    2.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138   -3.4981    1.6124 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3532   -4.8931    1.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935   -2.9816    0.7571 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1340   -3.8180   -0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337    0.0016    0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516   -1.3027    1.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5297    0.8801    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    0.5876    0.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480   -0.0763   -0.3545 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9855   -1.3051    0.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175   -2.1947   -0.5771 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8997   -3.4957   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0808   -1.5453   -1.8730 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8955   -2.4794   -2.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8491   -0.3085   -1.4375 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5306    0.2697   -2.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    0.6505   -0.8336 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5730    1.5709   -1.8744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    2.1267    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1651    2.5125   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6532    3.8083   -0.6123 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2211    4.5512   -1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    4.7176    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8359    2.8293    1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3840    2.4473    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1086   -1.0695    2.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0701   -0.8158   -0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9417   -3.3407    0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1324   -3.2396    2.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6126   -5.3049    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -3.1615    1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7645   -3.4098   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.6326    2.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -1.1546    2.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332   -2.1153    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6623   -4.2375   -1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986   -3.8934    0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -3.4382   -1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169   -1.2913   -2.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8330   -2.4292   -2.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5540   -0.5741   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3230   -0.2452   -3.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3631    1.2433   -0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    1.4081   -2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    3.2306   -1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968    4.0397    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    2.7079    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6302    3.6379   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660    5.2239   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4601    5.2660   -2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    3.8412   -2.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611    5.0844    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871    5.6316    0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970    4.1933    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  6 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
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 30 31  1  0
 20 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 34  5  1  0
 16  8  1  0
 30 22  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  8 41  1  6
 10 42  1  1
 11 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  6
 13 47  1  0
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 15 49  1  0
 16 50  1  1
 17 51  1  0
 19 52  1  0
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 25 57  1  0
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 31 65  1  0
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 33 68  1  0
 35 69  1  6
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 36 71  1  0
 36 72  1  0
 37 73  1  0
 37 74  1  0
 37 75  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0      -5.112   2.994   1.021  0.00  0.00           C+0
HETATM    2  S   UNK     0      -3.414   2.655   1.502  0.00  0.00           S+0
HETATM    3  C   UNK     0      -2.519   1.908   0.165  0.00  0.00           C+0
HETATM    4  O   UNK     0      -3.127   1.673  -0.934  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.118   1.563   0.312  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.802   0.331   0.815  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.755  -0.610   1.224  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.314  -1.562   0.368  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.645  -1.170   0.117  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.500  -1.436   1.150  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.846  -0.828   0.833  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.649  -2.962   1.227  0.00  0.00           C+0
HETATM   13  O   UNK     0      -5.603  -3.309   2.178  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.314  -3.498   1.612  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.353  -4.893   1.462  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.193  -2.982   0.757  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.134  -3.818  -0.386  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.534   0.002   0.922  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.952  -1.303   1.494  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.530   0.880   0.536  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.868   0.588   0.623  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.648  -0.076  -0.355  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.986  -1.305   0.235  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.617  -2.195  -0.577  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.900  -3.496  -0.800  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.081  -1.545  -1.873  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.896  -2.479  -2.506  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.849  -0.309  -1.438  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.531   0.270  -2.528  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.846   0.651  -0.834  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.573   1.571  -1.874  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.145   2.127   0.031  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.229   3.096  -0.261  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.165   2.513  -0.103  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.653   3.808  -0.612  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.221   4.551  -1.557  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.025   4.718   0.580  0.00  0.00           C+0
HETATM   38  H   UNK     0      -5.836   2.829   1.849  0.00  0.00           H+0
HETATM   39  H   UNK     0      -5.384   2.447   0.095  0.00  0.00           H+0
HETATM   40  H   UNK     0      -5.185   4.103   0.812  0.00  0.00           H+0
HETATM   41  H   UNK     0      -1.845  -1.459  -0.659  0.00  0.00           H+0
HETATM   42  H   UNK     0      -4.109  -1.069   2.098  0.00  0.00           H+0
HETATM   43  H   UNK     0      -6.070  -0.816  -0.250  0.00  0.00           H+0
HETATM   44  H   UNK     0      -6.627  -1.405   1.408  0.00  0.00           H+0
HETATM   45  H   UNK     0      -5.894   0.217   1.213  0.00  0.00           H+0
HETATM   46  H   UNK     0      -4.942  -3.341   0.214  0.00  0.00           H+0
HETATM   47  H   UNK     0      -5.444  -4.226   2.501  0.00  0.00           H+0
HETATM   48  H   UNK     0      -3.132  -3.240   2.681  0.00  0.00           H+0
HETATM   49  H   UNK     0      -2.613  -5.305   1.958  0.00  0.00           H+0
HETATM   50  H   UNK     0      -1.247  -3.162   1.289  0.00  0.00           H+0
HETATM   51  H   UNK     0      -2.765  -3.410  -1.043  0.00  0.00           H+0
HETATM   52  H   UNK     0       0.217  -1.633   2.291  0.00  0.00           H+0
HETATM   53  H   UNK     0       1.950  -1.155   2.004  0.00  0.00           H+0
HETATM   54  H   UNK     0       1.033  -2.115   0.783  0.00  0.00           H+0
HETATM   55  H   UNK     0       2.975  -0.314  -1.204  0.00  0.00           H+0
HETATM   56  H   UNK     0       5.583  -2.469  -0.051  0.00  0.00           H+0
HETATM   57  H   UNK     0       4.662  -4.237  -1.195  0.00  0.00           H+0
HETATM   58  H   UNK     0       3.599  -3.893   0.178  0.00  0.00           H+0
HETATM   59  H   UNK     0       3.067  -3.438  -1.520  0.00  0.00           H+0
HETATM   60  H   UNK     0       4.217  -1.291  -2.508  0.00  0.00           H+0
HETATM   61  H   UNK     0       6.833  -2.429  -2.190  0.00  0.00           H+0
HETATM   62  H   UNK     0       6.554  -0.574  -0.636  0.00  0.00           H+0
HETATM   63  H   UNK     0       6.323  -0.245  -3.349  0.00  0.00           H+0
HETATM   64  H   UNK     0       5.363   1.243  -0.051  0.00  0.00           H+0
HETATM   65  H   UNK     0       3.704   1.408  -2.298  0.00  0.00           H+0
HETATM   66  H   UNK     0       2.475   3.231  -1.314  0.00  0.00           H+0
HETATM   67  H   UNK     0       2.097   4.040   0.332  0.00  0.00           H+0
HETATM   68  H   UNK     0       3.205   2.708   0.193  0.00  0.00           H+0
HETATM   69  H   UNK     0      -1.630   3.638  -1.139  0.00  0.00           H+0
HETATM   70  H   UNK     0       0.966   5.224  -1.163  0.00  0.00           H+0
HETATM   71  H   UNK     0      -0.460   5.266  -2.170  0.00  0.00           H+0
HETATM   72  H   UNK     0       0.541   3.841  -2.352  0.00  0.00           H+0
HETATM   73  H   UNK     0      -2.061   5.084   0.521  0.00  0.00           H+0
HETATM   74  H   UNK     0      -0.387   5.632   0.507  0.00  0.00           H+0
HETATM   75  H   UNK     0      -0.897   4.193   1.539  0.00  0.00           H+0
CONECT    1    2   38   39   40                                             
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   34                                                  
CONECT    6    5    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   16   41                                             
CONECT    9    8   10                                                       
CONECT   10    9   11   12   42                                             
CONECT   11   10   43   44   45                                             
CONECT   12   10   13   14   46                                             
CONECT   13   12   47                                                       
CONECT   14   12   15   16   48                                             
CONECT   15   14   49                                                       
CONECT   16   14   17    8   50                                             
CONECT   17   16   51                                                       
CONECT   18    6   19   20                                                  
CONECT   19   18   52   53   54                                             
CONECT   20   18   21   32                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   30   55                                             
CONECT   23   22   24                                                       
CONECT   24   23   25   26   56                                             
CONECT   25   24   57   58   59                                             
CONECT   26   24   27   28   60                                             
CONECT   27   26   61                                                       
CONECT   28   26   29   30   62                                             
CONECT   29   28   63                                                       
CONECT   30   28   31   22   64                                             
CONECT   31   30   65                                                       
CONECT   32   20   33   34                                                  
CONECT   33   32   66   67   68                                             
CONECT   34   32   35    5                                                  
CONECT   35   34   36   37   69                                             
CONECT   36   35   70   71   72                                             
CONECT   37   35   73   74   75                                             
CONECT   38    1                                                            
CONECT   39    1                                                            
CONECT   40    1                                                            
CONECT   41    8                                                            
CONECT   42   10                                                            
CONECT   43   11                                                            
CONECT   44   11                                                            
CONECT   45   11                                                            
CONECT   46   12                                                            
CONECT   47   13                                                            
CONECT   48   14                                                            
CONECT   49   15                                                            
CONECT   50   16                                                            
CONECT   51   17                                                            
CONECT   52   19                                                            
CONECT   53   19                                                            
CONECT   54   19                                                            
CONECT   55   22                                                            
CONECT   56   24                                                            
CONECT   57   25                                                            
CONECT   58   25                                                            
CONECT   59   25                                                            
CONECT   60   26                                                            
CONECT   61   27                                                            
CONECT   62   28                                                            
CONECT   63   29                                                            
CONECT   64   30                                                            
CONECT   65   31                                                            
CONECT   66   33                                                            
CONECT   67   33                                                            
CONECT   68   33                                                            
CONECT   69   35                                                            
CONECT   70   36                                                            
CONECT   71   36                                                            
CONECT   72   36                                                            
CONECT   73   37                                                            
CONECT   74   37                                                            
CONECT   75   37                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  154    0
END

RDKit          3D

75 77  0  0  0  0  0  0  0  0999 V2000
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   -3.4137    2.6547    1.5021 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5188    1.9080    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1269    1.6725   -0.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    1.5634    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016    0.3306    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -0.6096    1.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -1.5621    0.3676 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6447   -1.1697    0.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4997   -1.4355    1.1496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8458   -0.8278    0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6495   -2.9617    1.2273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6029   -3.3086    2.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138   -3.4981    1.6124 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3532   -4.8931    1.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9516   -1.3027    1.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8955   -2.4794   -2.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5730    1.5709   -1.8744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    2.1267    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291    3.0959   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    2.5125   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6532    3.8083   -0.6123 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2211    4.5512   -1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    4.7176    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8359    2.8293    1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3840    2.4473    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8451   -1.4593   -0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1324   -3.2396    2.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7645   -3.4098   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.6326    2.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -1.1546    2.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332   -2.1153    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752   -0.3139   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832   -2.4694   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623   -4.2375   -1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5986   -3.8934    0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -3.4382   -1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169   -1.2913   -2.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8330   -2.4292   -2.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5540   -0.5741   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3230   -0.2452   -3.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3631    1.2433   -0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    1.4081   -2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    3.2306   -1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968    4.0397    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    2.7079    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6302    3.6379   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660    5.2239   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4601    5.2660   -2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    3.8412   -2.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611    5.0844    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871    5.6316    0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970    4.1933    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  6 18  1  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 20 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 34  5  1  0
 16  8  1  0
 30 22  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  8 41  1  6
 10 42  1  1
 11 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  6
 13 47  1  0
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 15 49  1  0
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 19 52  1  0
 19 53  1  0
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 37 73  1  0
 37 74  1  0
 37 75  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
[3,5-Dimethyl-2-(propan-2-yl)-4,6-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulphanyl)methanone	Generator

Chemical Formula

C₂₅H₃₈O₁₁S

Average Mass

546.6300 Da

Monoisotopic Mass

546.21348 Da

IUPAC Name

[3,5-dimethyl-2-(propan-2-yl)-4,6-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulfanyl)methanone

Traditional Name

[2-isopropyl-3,5-dimethyl-4,6-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulfanyl)methanone

CAS Registry Number

Not Available

SMILES

CSC(=O)C1=C(C(C)C)C(C)=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)=C1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C25H38O11S/c1-8(2)13-9(3)21(35-24-19(30)17(28)15(26)11(5)33-24)10(4)22(14(13)23(32)37-7)36-25-20(31)18(29)16(27)12(6)34-25/h8,11-12,15-20,24-31H,1-7H3/t11-,12-,15-,16-,17+,18+,19+,20+,24-,25-/m0/s1

InChI Key

JEZSIZIVEGJGBG-FGUYRURZSA-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
Streptomyces sp.	NPAtlas	26078114

Chemical Taxonomy

Classification

Not classified

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	0.51	ALOGPS
logP	1.95	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	175.37 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	133.82 m³·mol⁻¹	ChemAxon
Polarizability	56.26 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA016653

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

35517080

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122180312

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Shin B, Ahn S, Noh M, Shin J, Oh DC: Suncheonosides A-D, Benzothioate Glycosides from a Marine-Derived Streptomyces sp. J Nat Prod. 2015 Jun 26;78(6):1390-6. doi: 10.1021/acs.jnatprod.5b00284. Epub 2015 Jun 16. [PubMed:26078114 ]
Kaya MO, Pamukcu E, Yakar B: The role of vitamin D deficiency on the Covid-19: A systematic review and meta-analysis of observational studies. Epidemiol Health. 2021 Sep 23:e2021074. doi: 10.4178/epih.e2021074. [PubMed:34607398 ]
Giljam-Enright M, Statham S, Inglis-Jassiem G, van Niekerk L: The social determinants of health in rural and urban South Africa: A collective case study of Xhosa women with stroke. 2020. [PubMed:34606198 ]
Zhang Y, Begum HA, Grewal H, Etxeandia Ikobaltzeta I, Morgano GP, Khatib R, Nieuwlaat R, Ding C, Wiercioch W, Mustafa RA, Lim W, Schunemann HJ: Cost-effectiveness of diagnostic strategies for venous thromboembolism: a systematic review. Blood Adv. 2021 Oct 4. pii: 477147. doi: 10.1182/bloodadvances.2020003576. [PubMed:34607343 ]
Amirhashchi F, Azaran A, Seyedian SS, Jalilian S, Keikhaei B: Occult Hepatitis B Virus Infection among beta-Thalassemia Major Patients in Ahvaz City, Iran. Am J Trop Med Hyg. 2021 Oct 4. pii: tpmd210785. doi: 10.4269/ajtmh.21-0785. [PubMed:34607305 ]

Showing NP-Card for Suncheonoside D (NP0014289)

MOL for NP0014289 (Suncheonoside D)

3D MOL for NP0014289 (Suncheonoside D)

3D SDF for NP0014289 (Suncheonoside D)

3D-SDF for NP0014289 (Suncheonoside D)

PDB for NP0014289 (Suncheonoside D)

3D PDB for NP0014289 (Suncheonoside D)

SMILES for NP0014289 (Suncheonoside D)

INCHI for NP0014289 (Suncheonoside D)

Structure for NP0014289 (Suncheonoside D)

3D Structure for NP0014289 (Suncheonoside D)