NP-MRD: Showing NP-Card for isokibdelone A rhamnoside (NP0034985)

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Record Information

Version

1.0

Created at

2021-06-20 18:33:31 UTC

Updated at

2021-06-30 00:05:42 UTC

NP-MRD ID

NP0034985

Secondary Accession Numbers

None

Natural Product Identification

Common Name

isokibdelone A rhamnoside

Provided By

JEOL Database JEOL Logo

Description

isokibdelone A rhamnoside is found in Kibdelosporangium. It was first documented in 2006 (Ratnayake, R., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202120333D          

 85 91  0  0  0  0            999 V2000
   -9.1240    1.6880    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7123    1.1285    1.4204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2068    1.1166   -0.0269 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7799    0.5849   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5143   -0.7328   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7979   -1.9055   -0.3120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1416   -1.1993   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1204   -0.3360   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4292    1.8536    0.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7404   -0.8233   -0.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

 85 91  0  0  0  0  0  0  0  0999 V2000
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    2.3917   -7.2649    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -3.1545    2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161    2.1478   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    2.1296    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    3.3712    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340    4.0461    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988    3.4327    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5822    2.2514   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    0.3749   -1.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.8430   -2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934   -1.7464   -2.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6916   -1.8301   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242    0.3683   -3.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    0.8947   -5.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9829    2.6199   -3.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516    3.7221   -4.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0141    2.4553   -2.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    4.2901   -1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    1.6783    2.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387    0.0238    2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 31  2  0
 16 17  2  0
 15 32  2  0
 19 18  2  0
 25 26  1  0
 31 30  1  0
 30 29  1  0
 28 26  1  0
 28 29  2  0
 18 17  1  0
  4 11  1  0
  5  6  1  0
  4  5  2  0
  9 10  2  0
 11  9  1  0
 28 48  1  0
 29 33  1  0
 33 35  1  0
 35 36  1  0
 36 48  1  0
  4  3  1  0
 26 27  2  0
  7 50  1  0
 20 21  1  0
  3  2  1  0
 21 22  1  0
  8 13  1  0
 23 24  1  0
  2  1  1  0
 36 37  1  0
 13 15  1  0
 48 49  1  0
 13 14  2  0
 33 34  1  0
 16 50  1  0
 11 12  1  0
 50 51  2  0
 19 32  1  0
 16 15  1  0
  9  8  1  0
  7  5  1  0
  7  8  2  0
 19 20  1  0
 32 31  1  0
 25 23  1  0
 23 20  2  0
 38 46  1  0
 46 44  1  0
 44 42  1  0
 42 40  1  0
 40 39  1  0
 39 38  1  0
 46 47  1  0
 42 43  1  0
 44 45  1  0
 38 37  1  0
 40 41  1  0
 18 63  1  0
 17 62  1  0
  3 57  1  0
  3 58  1  0
  2 55  1  0
  2 56  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
 33 68  1  6
 35 70  1  0
 35 71  1  0
 36 72  1  1
 48 84  1  1
 22 64  1  0
 22 65  1  0
 22 66  1  0
 24 67  1  0
 49 85  1  0
 34 69  1  0
 12 59  1  0
 12 60  1  0
 12 61  1  0
 47 83  1  0
 38 73  1  1
 42 78  1  6
 43 79  1  0
 44 80  1  1
 45 81  1  0
 46 82  1  6
 41 75  1  0
 41 76  1  0
 41 77  1  0
 40 74  1  1
M  END


  Mrv1652306202120333D          

 85 91  0  0  0  0            999 V2000
   -9.1240    1.6880    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7123    1.1285    1.4204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2068    1.1166   -0.0269 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7799    0.5849   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5143   -0.7328   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7979   -1.9055   -0.3120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1416   -1.1993   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1204   -0.3360   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3741    1.0990   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4292    1.8536    0.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7139    1.5010   -0.0386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9620    2.9323    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404   -0.8233   -0.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056   -0.2019   -1.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627   -2.1723    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4752   -3.0970   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -4.4473   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151   -4.8556    0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090   -3.9336    0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2548   -4.3708    1.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4072   -5.7304    1.4949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091   -6.2538    0.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -3.4512    1.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.9187    2.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960   -2.0846    1.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9937   -1.0811    1.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476   -1.4250    2.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949    0.3345    1.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4616    0.6367    1.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789   -0.3001    1.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841   -1.6405    1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -2.5472    0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0253    2.0570    0.9705 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1756    2.3345    1.6881 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562    3.1226    1.3765 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4775    2.6474    1.0701 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5207    2.4712   -0.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545    1.9819   -0.8921 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7216    0.5641   -1.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332    0.1079   -1.9945 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8122   -1.4151   -2.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9660    0.7127   -3.3852 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9489    0.3136   -4.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9831    2.2370   -3.2827 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3099    2.7897   -4.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0059    2.6886   -2.2407 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9230    4.1197   -2.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    1.3855    1.9391 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0807    0.9333    1.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7836   -2.6245   -0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063   -3.3945   -1.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8218    1.0870    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4688    1.6842    2.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1606    2.7190    1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7081    0.1129    1.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0519    1.7285    2.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2890    2.1186   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8896    0.5193   -0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606    3.1073    1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360    3.5047    0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4803    3.3098   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233   -5.1850   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -5.9235    0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3824   -6.3369    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -5.6690    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -7.2649    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -3.1545    2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161    2.1478   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    2.1296    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    3.3712    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340    4.0461    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988    3.4327    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5822    2.2514   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    0.3749   -1.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.8430   -2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934   -1.7464   -2.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6916   -1.8301   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242    0.3683   -3.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    0.8947   -5.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9829    2.6199   -3.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516    3.7221   -4.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0141    2.4553   -2.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    4.2901   -1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    1.6783    2.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387    0.0238    2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 31  2  0  0  0  0
 16 17  2  0  0  0  0
 15 32  2  0  0  0  0
 19 18  2  0  0  0  0
 25 26  1  0  0  0  0
 31 30  1  0  0  0  0
 30 29  1  0  0  0  0
 28 26  1  0  0  0  0
 28 29  2  0  0  0  0
 18 17  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  4  5  2  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  0  0  0  0
 28 48  1  0  0  0  0
 29 33  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 48  1  0  0  0  0
  4  3  1  0  0  0  0
 26 27  2  0  0  0  0
  7 50  1  0  0  0  0
 20 21  1  0  0  0  0
  3  2  1  0  0  0  0
 21 22  1  0  0  0  0
  8 13  1  0  0  0  0
 23 24  1  0  0  0  0
  2  1  1  0  0  0  0
 36 37  1  0  0  0  0
 13 15  1  0  0  0  0
 48 49  1  0  0  0  0
 13 14  2  0  0  0  0
 33 34  1  0  0  0  0
 16 50  1  0  0  0  0
 11 12  1  0  0  0  0
 50 51  2  0  0  0  0
 19 32  1  0  0  0  0
 16 15  1  0  0  0  0
  9  8  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  2  0  0  0  0
 19 20  1  0  0  0  0
 32 31  1  0  0  0  0
 25 23  1  0  0  0  0
 23 20  2  0  0  0  0
 38 46  1  0  0  0  0
 46 44  1  0  0  0  0
 44 42  1  0  0  0  0
 42 40  1  0  0  0  0
 40 39  1  0  0  0  0
 39 38  1  0  0  0  0
 46 47  1  0  0  0  0
 42 43  1  0  0  0  0
 44 45  1  0  0  0  0
 38 37  1  0  0  0  0
 40 41  1  0  0  0  0
 18 63  1  0  0  0  0
 17 62  1  0  0  0  0
  3 57  1  0  0  0  0
  3 58  1  0  0  0  0
  2 55  1  0  0  0  0
  2 56  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
 33 68  1  6  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  1  0  0  0
 48 84  1  1  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 24 67  1  0  0  0  0
 49 85  1  0  0  0  0
 34 69  1  0  0  0  0
 12 59  1  0  0  0  0
 12 60  1  0  0  0  0
 12 61  1  0  0  0  0
 47 83  1  0  0  0  0
 38 73  1  1  0  0  0
 42 78  1  6  0  0  0
 43 79  1  0  0  0  0
 44 80  1  1  0  0  0
 45 81  1  0  0  0  0
 46 82  1  6  0  0  0
 41 75  1  0  0  0  0
 41 76  1  0  0  0  0
 41 77  1  0  0  0  0
 40 74  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0034985

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(OC([H])([H])[H])C2=C([H])C([H])=C3C(=O)C4=C(C(=O)N(C(=C4Cl)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C(=O)C3=C2C2=C1C(=O)C1=C(O2)[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[C@@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C35H34ClNO14/c1-5-6-13-22(36)18-19(34(47)37(13)3)26(42)16-11(24(18)40)7-8-12-17(16)33-21(28(44)31(12)48-4)27(43)20-25(41)15(9-14(38)32(20)51-33)50-35-30(46)29(45)23(39)10(2)49-35/h7-8,10,14-15,23,25,29-30,35,38-39,41,44-46H,5-6,9H2,1-4H3/t10-,14+,15+,23-,25+,29+,30-,35-/m1/s1

> <INCHI_KEY>
FTYRBFHXXGJYJI-FHSOZAMLSA-N

> <FORMULA>
C35H34ClNO14

> <MOLECULAR_WEIGHT>
728.1

> <EXACT_MASS>
727.1667825

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
71.65332654171928

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5S,7S,8R)-20-chloro-5,8,12-trihydroxy-13-methoxy-22-methyl-21-propyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-oxa-22-azahexacyclo[12.12.0.0^{2,11}.0^{4,9}.0^{17,26}.0^{19,24}]hexacosa-1(26),2(11),4(9),12,14,16,19(24),20-octaene-10,18,23,25-tetrone

> <ALOGPS_LOGP>
1.89

> <JCHEM_LOGP>
0.2739527136666671

> <ALOGPS_LOGS>
-3.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.175604707497685

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.258727597973076

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3484228141946932

> <JCHEM_POLAR_SURFACE_AREA>
229.81999999999996

> <JCHEM_REFRACTIVITY>
178.9399

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.25e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5S,7S,8R)-20-chloro-5,8,12-trihydroxy-13-methoxy-22-methyl-21-propyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-oxa-22-azahexacyclo[12.12.0.0^{2,11}.0^{4,9}.0^{17,26}.0^{19,24}]hexacosa-1(26),2(11),4(9),12,14,16,19(24),20-octaene-10,18,23,25-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 85 91  0  0  0  0  0  0  0  0999 V2000
   -9.1240    1.6880    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7123    1.1285    1.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2068    1.1166   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7841   -1.6405    1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -2.5472    0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0253    2.0570    0.9705 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1756    2.3345    1.6881 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562    3.1226    1.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    2.6474    1.0701 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5207    2.4712   -0.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545    1.9819   -0.8921 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7216    0.5641   -1.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332    0.1079   -1.9945 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8122   -1.4151   -2.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9660    0.7127   -3.3852 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9489    0.3136   -4.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9831    2.2370   -3.2827 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3099    2.7897   -4.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0059    2.6886   -2.2407 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9230    4.1197   -2.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    1.3855    1.9391 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0807    0.9333    1.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7836   -2.6245   -0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063   -3.3945   -1.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8218    1.0870    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4688    1.6842    2.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1606    2.7190    1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7081    0.1129    1.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0519    1.7285    2.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2890    2.1186   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8896    0.5193   -0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606    3.1073    1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360    3.5047    0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4803    3.3098   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233   -5.1850   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -5.9235    0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3824   -6.3369    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -5.6690    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -7.2649    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -3.1545    2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161    2.1478   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    2.1296    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    3.3712    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340    4.0461    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988    3.4327    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5822    2.2514   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    0.3749   -1.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401   -1.8430   -2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934   -1.7464   -2.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6916   -1.8301   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242    0.3683   -3.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    0.8947   -5.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9829    2.6199   -3.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516    3.7221   -4.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0141    2.4553   -2.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    4.2901   -1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    1.6783    2.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387    0.0238    2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 31  2  0
 16 17  2  0
 15 32  2  0
 19 18  2  0
 25 26  1  0
 31 30  1  0
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 40 74  1  1
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0      -9.124   1.688   1.509  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.712   1.129   1.420  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.207   1.117  -0.027  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.780   0.585  -0.141  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.514  -0.733  -0.320  0.00  0.00           C+0
HETATM    6 Cl   UNK     0      -6.798  -1.906  -0.312  0.00  0.00          Cl+0
HETATM    7  C   UNK     0      -4.142  -1.199  -0.450  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.120  -0.336  -0.332  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.374   1.099  -0.058  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.429   1.854   0.170  0.00  0.00           O+0
HETATM   11  N   UNK     0      -4.714   1.501  -0.039  0.00  0.00           N+0
HETATM   12  C   UNK     0      -4.962   2.932   0.125  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.740  -0.823  -0.523  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.906  -0.202  -1.164  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.463  -2.172   0.003  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.475  -3.097  -0.246  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.252  -4.447  -0.020  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.015  -4.856   0.478  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.009  -3.934   0.803  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.255  -4.371   1.325  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.407  -5.730   1.495  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.609  -6.254   0.930  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.239  -3.451   1.714  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.404  -3.919   2.267  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.996  -2.085   1.572  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.994  -1.081   1.978  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.048  -1.425   2.509  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.695   0.335   1.708  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.462   0.637   1.267  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.479  -0.300   1.024  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.784  -1.641   1.044  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.223  -2.547   0.601  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.025   2.057   0.971  0.00  0.00           C+0
HETATM   34  O   UNK     0      -0.176   2.334   1.688  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.056   3.123   1.377  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.478   2.647   1.070  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.521   2.471  -0.359  0.00  0.00           O+0
HETATM   38  C   UNK     0       4.755   1.982  -0.892  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.722   0.564  -1.060  0.00  0.00           O+0
HETATM   40  C   UNK     0       3.733   0.108  -1.994  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.812  -1.415  -2.033  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.966   0.713  -3.385  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.949   0.314  -4.307  0.00  0.00           O+0
HETATM   44  C   UNK     0       3.983   2.237  -3.283  0.00  0.00           C+0
HETATM   45  O   UNK     0       4.310   2.790  -4.571  0.00  0.00           O+0
HETATM   46  C   UNK     0       5.006   2.689  -2.241  0.00  0.00           C+0
HETATM   47  O   UNK     0       4.923   4.120  -2.115  0.00  0.00           O+0
HETATM   48  C   UNK     0       3.745   1.385   1.939  0.00  0.00           C+0
HETATM   49  O   UNK     0       5.081   0.933   1.748  0.00  0.00           O+0
HETATM   50  C   UNK     0      -3.784  -2.624  -0.750  0.00  0.00           C+0
HETATM   51  O   UNK     0      -4.506  -3.394  -1.365  0.00  0.00           O+0
HETATM   52  H   UNK     0      -9.822   1.087   0.917  0.00  0.00           H+0
HETATM   53  H   UNK     0      -9.469   1.684   2.547  0.00  0.00           H+0
HETATM   54  H   UNK     0      -9.161   2.719   1.142  0.00  0.00           H+0
HETATM   55  H   UNK     0      -7.708   0.113   1.833  0.00  0.00           H+0
HETATM   56  H   UNK     0      -7.052   1.728   2.056  0.00  0.00           H+0
HETATM   57  H   UNK     0      -7.289   2.119  -0.461  0.00  0.00           H+0
HETATM   58  H   UNK     0      -7.890   0.519  -0.644  0.00  0.00           H+0
HETATM   59  H   UNK     0      -5.561   3.107   1.022  0.00  0.00           H+0
HETATM   60  H   UNK     0      -4.036   3.505   0.229  0.00  0.00           H+0
HETATM   61  H   UNK     0      -5.480   3.310  -0.762  0.00  0.00           H+0
HETATM   62  H   UNK     0      -3.023  -5.185  -0.234  0.00  0.00           H+0
HETATM   63  H   UNK     0      -0.856  -5.923   0.635  0.00  0.00           H+0
HETATM   64  H   UNK     0       3.382  -6.337   1.699  0.00  0.00           H+0
HETATM   65  H   UNK     0       2.968  -5.669   0.075  0.00  0.00           H+0
HETATM   66  H   UNK     0       2.392  -7.265   0.571  0.00  0.00           H+0
HETATM   67  H   UNK     0       3.967  -3.155   2.523  0.00  0.00           H+0
HETATM   68  H   UNK     0       0.816   2.148  -0.103  0.00  0.00           H+0
HETATM   69  H   UNK     0      -0.917   2.130   1.074  0.00  0.00           H+0
HETATM   70  H   UNK     0       1.958   3.371   2.441  0.00  0.00           H+0
HETATM   71  H   UNK     0       1.834   4.046   0.827  0.00  0.00           H+0
HETATM   72  H   UNK     0       4.199   3.433   1.327  0.00  0.00           H+0
HETATM   73  H   UNK     0       5.582   2.251  -0.227  0.00  0.00           H+0
HETATM   74  H   UNK     0       2.734   0.375  -1.627  0.00  0.00           H+0
HETATM   75  H   UNK     0       3.040  -1.843  -2.679  0.00  0.00           H+0
HETATM   76  H   UNK     0       4.793  -1.746  -2.391  0.00  0.00           H+0
HETATM   77  H   UNK     0       3.692  -1.830  -1.027  0.00  0.00           H+0
HETATM   78  H   UNK     0       4.924   0.368  -3.795  0.00  0.00           H+0
HETATM   79  H   UNK     0       3.068   0.895  -5.085  0.00  0.00           H+0
HETATM   80  H   UNK     0       2.983   2.620  -3.046  0.00  0.00           H+0
HETATM   81  H   UNK     0       4.552   3.722  -4.399  0.00  0.00           H+0
HETATM   82  H   UNK     0       6.014   2.455  -2.603  0.00  0.00           H+0
HETATM   83  H   UNK     0       4.147   4.290  -1.545  0.00  0.00           H+0
HETATM   84  H   UNK     0       3.685   1.678   2.995  0.00  0.00           H+0
HETATM   85  H   UNK     0       5.139   0.024   2.107  0.00  0.00           H+0
CONECT    1    2   52   53   54                                             
CONECT    2    3    1   55   56                                             
CONECT    3    4    2   57   58                                             
CONECT    4   11    5    3                                                  
CONECT    5    6    4    7                                                  
CONECT    6    5                                                            
CONECT    7   50    5    8                                                  
CONECT    8   13    9    7                                                  
CONECT    9   10   11    8                                                  
CONECT   10    9                                                            
CONECT   11    4    9   12                                                  
CONECT   12   11   59   60   61                                             
CONECT   13    8   15   14                                                  
CONECT   14   13                                                            
CONECT   15   32   13   16                                                  
CONECT   16   17   50   15                                                  
CONECT   17   16   18   62                                                  
CONECT   18   19   17   63                                                  
CONECT   19   18   32   20                                                  
CONECT   20   21   19   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21   64   65   66                                             
CONECT   23   24   25   20                                                  
CONECT   24   23   67                                                       
CONECT   25   31   26   23                                                  
CONECT   26   25   28   27                                                  
CONECT   27   26                                                            
CONECT   28   26   29   48                                                  
CONECT   29   30   28   33                                                  
CONECT   30   31   29                                                       
CONECT   31   25   30   32                                                  
CONECT   32   15   19   31                                                  
CONECT   33   29   35   34   68                                             
CONECT   34   33   69                                                       
CONECT   35   33   36   70   71                                             
CONECT   36   35   48   37   72                                             
CONECT   37   36   38                                                       
CONECT   38   46   39   37   73                                             
CONECT   39   40   38                                                       
CONECT   40   42   39   41   74                                             
CONECT   41   40   75   76   77                                             
CONECT   42   44   40   43   78                                             
CONECT   43   42   79                                                       
CONECT   44   46   42   45   80                                             
CONECT   45   44   81                                                       
CONECT   46   38   44   47   82                                             
CONECT   47   46   83                                                       
CONECT   48   28   36   49   84                                             
CONECT   49   48   85                                                       
CONECT   50    7   16   51                                                  
CONECT   51   50                                                            
CONECT   52    1                                                            
CONECT   53    1                                                            
CONECT   54    1                                                            
CONECT   55    2                                                            
CONECT   56    2                                                            
CONECT   57    3                                                            
CONECT   58    3                                                            
CONECT   59   12                                                            
CONECT   60   12                                                            
CONECT   61   12                                                            
CONECT   62   17                                                            
CONECT   63   18                                                            
CONECT   64   22                                                            
CONECT   65   22                                                            
CONECT   66   22                                                            
CONECT   67   24                                                            
CONECT   68   33                                                            
CONECT   69   34                                                            
CONECT   70   35                                                            
CONECT   71   35                                                            
CONECT   72   36                                                            
CONECT   73   38                                                            
CONECT   74   40                                                            
CONECT   75   41                                                            
CONECT   76   41                                                            
CONECT   77   41                                                            
CONECT   78   42                                                            
CONECT   79   43                                                            
CONECT   80   44                                                            
CONECT   81   45                                                            
CONECT   82   46                                                            
CONECT   83   47                                                            
CONECT   84   48                                                            
CONECT   85   49                                                            
MASTER        0    0    0    0    0    0    0    0   85    0  182    0
END

RDKit          3D

85 91  0  0  0  0  0  0  0  0999 V2000
   -9.1240    1.6880    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7123    1.1285    1.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5143   -0.7328   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7979   -1.9055   -0.3120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1416   -1.1993   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7404   -0.8233   -0.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056   -0.2019   -1.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4803    3.3098   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233   -5.1850   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -5.9235    0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3824   -6.3369    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -5.6690    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -7.2649    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -3.1545    2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9166    2.1296    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    3.3712    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340    4.0461    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988    3.4327    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0401   -1.8430   -2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
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 40 74  1  1
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₃₄ClNO₁₄

Average Mass

728.1000 Da

Monoisotopic Mass

727.16678 Da

IUPAC Name

(5S,7S,8R)-20-chloro-5,8,12-trihydroxy-13-methoxy-22-methyl-21-propyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-oxa-22-azahexacyclo[12.12.0.0^{2,11}.0^{4,9}.0^{17,26}.0^{19,24}]hexacosa-1(26),2(11),4(9),12,14,16,19(24),20-octaene-10,18,23,25-tetrone

Traditional Name

CAS Registry Number

Not Available

SMILES

[H]OC1=C(OC([H])([H])[H])C2=C([H])C([H])=C3C(=O)C4=C(C(=O)N(C(=C4Cl)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C(=O)C3=C2C2=C1C(=O)C1=C(O2)[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[C@@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]1([H])O[H]

InChI Identifier

InChI=1S/C35H34ClNO14/c1-5-6-13-22(36)18-19(34(47)37(13)3)26(42)16-11(24(18)40)7-8-12-17(16)33-21(28(44)31(12)48-4)27(43)20-25(41)15(9-14(38)32(20)51-33)50-35-30(46)29(45)23(39)10(2)49-35/h7-8,10,14-15,23,25,29-30,35,38-39,41,44-46H,5-6,9H2,1-4H3/t10-,14+,15+,23-,25+,29+,30-,35-/m1/s1

InChI Key

FTYRBFHXXGJYJI-FHSOZAMLSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Kibdelosporangium	JEOL database	Ratnayake, R., et al, Org. Lett., 8, 5267 (2006)

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	1.89	ALOGPS
logP	0.27	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	7.26	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	229.82 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	178.94 m³·mol⁻¹	ChemAxon
Polarizability	71.65 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Ratnayake, R., et al. (2006). Ratnayake, R., et al, Org. Lett., 8, 5267 (2006). Org. Lett..

Showing NP-Card for isokibdelone A rhamnoside (NP0034985)

MOL for NP0034985 (isokibdelone A rhamnoside)

3D MOL for NP0034985 (isokibdelone A rhamnoside)

3D SDF for NP0034985 (isokibdelone A rhamnoside)

3D-SDF for NP0034985 (isokibdelone A rhamnoside)

PDB for NP0034985 (isokibdelone A rhamnoside)

3D PDB for NP0034985 (isokibdelone A rhamnoside)

SMILES for NP0034985 (isokibdelone A rhamnoside)

INCHI for NP0034985 (isokibdelone A rhamnoside)

Structure for NP0034985 (isokibdelone A rhamnoside)

3D Structure for NP0034985 (isokibdelone A rhamnoside)