NP-MRD: Showing NP-Card for (1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione (NP0270478)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 16:24:46 UTC

Updated at

2022-09-08 16:24:46 UTC

NP-MRD ID

NP0270478

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082218242D          

 53 57  0  0  1  0            999 V2000
    6.6823    0.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763   -0.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722   -0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6824    0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -1.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8181   -1.9955    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4287   -0.0224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801   -0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330   -1.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597   -0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028    0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443   -0.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7098    0.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8264    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722    0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -0.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158    1.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883    2.0051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4596    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170    0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5699    0.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    2.2658    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0741    3.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163    2.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    1.8877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3292    1.1629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2138    1.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087    0.3185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4837   -0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2812   -1.2051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1050   -2.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5509   -1.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998   -0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9688   -0.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8272    0.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9143   -1.8029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3474   -2.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   -3.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -2.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583   -2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151   -2.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175   -2.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069   -1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2370   -1.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842   -2.0637    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 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
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  4  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  2  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 32 31  1  6  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 35 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  1  0  0  0
 44 45  1  0  0  0  0
 43 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
  5 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END

     RDKit          3D

101105  0  0  0  0  0  0  0  0999 V2000
    2.6950   -6.3922    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -5.0479    0.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1666   -4.0093    0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -4.2246    0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -3.1822    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3726   -1.9024    0.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -1.5993    0.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702   -2.6859    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3039   -2.5841    0.2146 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3725   -0.2972    0.8393 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8092   -0.3008    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    1.0631    0.3753 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7283    0.9724    1.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    1.5095   -0.9771 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4292    1.0841   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    0.8319   -1.9593 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8320    2.9870   -1.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    3.6967   -0.5459 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9412    3.5340   -1.8401 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6137    3.9531   -1.8220 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5378    5.1419   -2.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5634    3.0118   -2.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643    2.5690   -3.4745 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557    2.5672   -1.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015    2.2013   -0.2615 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6374    2.1312    0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8729    0.9372    1.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5329    1.2941    2.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941    3.1377    0.3312 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2132    4.2701   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7795    3.4324    1.6681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324    2.4361    1.1154 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1152    2.9571    0.8966 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5564    3.6647    2.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1188    1.9063    0.5729 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5516    0.5338    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629   -0.3942   -0.5032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4709   -0.8825    0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6278    0.3196   -1.7061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6280    1.5945   -1.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4225    2.1759   -3.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8310    2.3094   -0.6035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202   -1.5682   -0.7819 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9737   -1.4614   -2.1279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6239   -1.2247   -2.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9870   -2.8699   -0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3471   -3.2154    0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405   -2.9071    1.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798   -3.1637    2.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -2.7824    3.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -3.7713    1.0976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3178   -5.1049    1.6155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -6.0162    0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8911   -6.6693    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043   -6.7702   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453   -6.9589    0.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748   -5.2766    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4064   -1.0490    1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010   -0.7495    1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8733   -0.5765   -0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818    1.8226    0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6011    0.3757    1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8821    1.7489   -1.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167    0.0604   -1.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0364    1.0644   -0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505    1.2003   -2.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7403    3.9241   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    4.4227   -0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    5.1061   -3.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5176    6.0906   -2.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076    5.0163   -3.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2144    1.2119   -0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877    1.8771   -0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882    3.0370    0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2783    4.6919   -1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8016    3.8851   -1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    5.0857    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320    1.5051    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    3.7248    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8999    4.7082    1.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4520    3.1398    2.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7884    3.6083    2.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8723    1.8598    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5169    0.0666    1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4953    0.6591    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8993   -0.1194    0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111    3.1751   -3.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3989   -1.4309   -0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924   -0.2795   -1.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430   -2.0839   -1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278   -1.2218   -3.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1525   -3.5101   -1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2862   -3.7830    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1614   -2.4296    2.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -3.1855    3.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7080   -1.6812    3.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757   -3.1782    4.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0372   -3.9512    0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1633   -5.8146    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7893   -5.9327   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -7.0511    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
 45 44  1  0
 44 43  1  0
 43 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 52 53  1  0
 51  5  1  0
  5  6  2  0
  6  7  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  6
 14 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 25 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  1
 37 39  1  0
 39 40  2  0
 40 41  1  0
 40 42  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
  3  2  1  0
  2  1  1  0
  3  4  2  0
 37 43  1  0
  4  5  1  0
 27 10  1  0
 32 29  1  0
 42 35  1  0
 45 89  1  0
 45 90  1  0
 45 91  1  0
 43 88  1  1
 46 92  1  0
 47 93  1  0
 48 94  1  0
 50 95  1  0
 50 96  1  0
 50 97  1  0
 51 98  1  6
 53 99  1  0
 53100  1  0
 53101  1  0
  6 58  1  0
 11 59  1  0
 11 60  1  0
 12 61  1  1
 13 62  1  0
 15 63  1  0
 15 64  1  0
 15 65  1  0
 16 66  1  0
 18 67  1  0
 20 68  1  1
 21 69  1  0
 21 70  1  0
 21 71  1  0
 25 72  1  6
 26 73  1  0
 26 74  1  0
 30 75  1  0
 30 76  1  0
 30 77  1  0
 32 78  1  1
 33 79  1  6
 34 80  1  0
 34 81  1  0
 34 82  1  0
 35 83  1  1
 36 84  1  0
 36 85  1  0
 38 86  1  0
 41 87  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  4 57  1  0
M  END


  Mrv1652309082218242D          

 53 57  0  0  1  0            999 V2000
    6.6823    0.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763   -0.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722   -0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6824    0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -1.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8181   -1.9955    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4287   -0.0224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801   -0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330   -1.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597   -0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028    0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443   -0.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7098    0.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8264    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722    0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -0.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158    1.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883    2.0051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4596    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170    0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5699    0.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    2.2658    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0741    3.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163    2.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    1.8877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3292    1.1629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2138    1.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087    0.3185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4837   -0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2812   -1.2051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1050   -2.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5509   -1.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998   -0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9688   -0.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8272    0.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9143   -1.8029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3474   -2.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   -3.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490   -2.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583   -2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995   -2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151   -2.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175   -2.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069   -1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2370   -1.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842   -2.0637    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 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
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  4  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  2  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 32 31  1  6  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 35 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  1  0  0  0
 44 45  1  0  0  0  0
 43 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
  5 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0270478

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1\C=C/C=C(C)\C(OC)C2=CC(N3CC(O)C(C)(O)C(O)=NC(C)C(=O)O[C@@H](CC3=O)[C@]3(C)O[C@H]3[C@H](C)[C@@H]3C[C@@]1(O)N=C(O)O3)=C(Cl)C(OC)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C36H48ClN3O13/c1-17-10-9-11-25(49-7)36(47)15-23(51-33(45)39-36)18(2)30-35(5,53-30)26-14-27(42)40(21-12-20(29(17)50-8)13-22(48-6)28(21)37)16-24(41)34(4,46)32(44)38-19(3)31(43)52-26/h9-13,18-19,23-26,29-30,41,46-47H,14-16H2,1-8H3,(H,38,44)(H,39,45)/b11-9-,17-10-/t18-,19?,23+,24?,25-,26+,29?,30+,34?,35+,36+/m1/s1

> <INCHI_KEY>
SEGCAWMBEYYQNG-MVWRGNIBSA-N

> <FORMULA>
C36H48ClN3O13

> <MOLECULAR_WEIGHT>
766.24

> <EXACT_MASS>
765.2875663

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
76.31278977540461

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,4S,5R,6S,10S,11R,12E,14E)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1^{6,10}.1^{17,21}.0^{2,4}]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione

> <JCHEM_LOGP>
3.0025685699999975

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.7014894353418497

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5650790568298047

> <JCHEM_PKA_STRONGEST_BASIC>
-0.2282231159905196

> <JCHEM_POLAR_SURFACE_AREA>
221.92999999999995

> <JCHEM_REFRACTIVITY>
188.83599999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,4S,5R,6S,10S,11R,12E,14E)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1^{6,10}.1^{17,21}.0^{2,4}]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      12.474   0.776   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      11.342  -0.404   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.655  -0.849   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.741   0.354   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.383  -0.448   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.102  -1.212   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.099  -1.805   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.786  -2.008   0.000  0.00  0.00           C+0
HETATM    9 Cl   UNK     0       8.994  -3.725   0.000  0.00  0.00          Cl+0
HETATM   10  N   UNK     0       6.400  -0.042   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       4.726  -0.858   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.510  -1.397   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.048  -3.039   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.725  -0.061   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.125   0.592   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.509  -1.678   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.613   1.488   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.325   1.862   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0       3.562   2.779   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       5.276   2.407   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.193   2.810   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.988   0.860   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.446  -0.295   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.323   2.140   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.831   3.743   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.458   3.272   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.938   1.647   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.530   1.622   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.193   4.230   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.872   5.763   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.897   5.062   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.824   3.524   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.615   2.171   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.399   3.678   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.016   0.594   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.903  -0.716   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.525  -2.250   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -0.196  -3.829   0.000  0.00  0.00           O+0
HETATM   39  N   UNK     0      -1.028  -2.472   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      -2.053  -1.302   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -3.675  -1.466   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -1.544   0.177   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       1.707  -3.365   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       0.649  -4.894   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       0.917  -6.586   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       3.078  -4.210   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.589  -4.728   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       6.159  -4.844   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       7.495  -3.970   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       8.059  -5.525   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       7.853  -2.373   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       9.776  -2.827   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      11.171  -3.852   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   51                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    7   11   27                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   29                                                  
CONECT   26   25   27                                                       
CONECT   27   26   10   28                                                  
CONECT   28   27                                                            
CONECT   29   25   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   29   33                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   42                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39   43                                             
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   35                                                       
CONECT   43   37   44   46                                                  
CONECT   44   43   45                                                       
CONECT   45   44                                                            
CONECT   46   43   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49    5   52                                                  
CONECT   52   51   53                                                       
CONECT   53   52                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  114    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₄₈ClN₃O₁₃

Average Mass

766.2400 Da

Monoisotopic Mass

765.28757 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CO[C@@H]1\C=C/C=C(C)\C(OC)C2=CC(N3CC(O)C(C)(O)C(O)=NC(C)C(=O)O[C@@H](CC3=O)[C@]3(C)O[C@H]3[C@H](C)[C@@H]3C[C@@]1(O)N=C(O)O3)=C(Cl)C(OC)=C2

InChI Identifier

InChI=1S/C36H48ClN3O13/c1-17-10-9-11-25(49-7)36(47)15-23(51-33(45)39-36)18(2)30-35(5,53-30)26-14-27(42)40(21-12-20(29(17)50-8)13-22(48-6)28(21)37)16-24(41)34(4,46)32(44)38-19(3)31(43)52-26/h9-13,18-19,23-26,29-30,41,46-47H,14-16H2,1-8H3,(H,38,44)(H,39,45)/b11-9-,17-10-/t18-,19?,23+,24?,25-,26+,29?,30+,34?,35+,36+/m1/s1

InChI Key

SEGCAWMBEYYQNG-MVWRGNIBSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Trewia nudiflora	LOTUS Database	35616633

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

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione (NP0270478)

MOL for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

3D MOL for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

3D SDF for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

3D-SDF for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

PDB for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

3D PDB for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

SMILES for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

INCHI for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

Structure for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)

3D Structure for NP0270478 ((1s,2s,4s,5r,6s,10s,11r,12e,14e)-20-chloro-8,10,24,25,26-pentahydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-8,12,14,17(33),18,20,26-heptaene-29,32-dione)