Showing NP-Card for Chloro-orienticin D (NP0021089)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 06:22:59 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:35:25 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0021089 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Chloro-orienticin D | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Chloro-orienticin D is found in Amycolatopsis and Amycolatopsis orientalis. Based on a literature review very few articles have been published on (2R,18R,19R,22S,25R,40S)-2-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-48-({3-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5,15-dichloro-19-{[(2R)-2-(dimethylamino)-1-hydroxy-4-methylpentylidene]amino}-18,20,23,26,32,35,37,42,44-nonahydroxy-22-[(C-hydroxycarbonimidoyl)methyl]-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]Pentaconta-3,5,8,10,12(48),14,16,20,23,26,29(45),30,32,34(39),35,37,41,43,46,49-icosaene-40-carboxylic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0021089 (Chloro-orienticin D)
Mrv1652307042107573D
202212 0 0 0 0 999 V2000
13.5859 -2.5853 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2708 -2.9931 1.3966 C 0 0 2 0 0 0 0 0 0 0 0 0
12.2612 -4.4196 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0642 -2.4510 0.7504 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7126 -2.6925 -0.6336 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4346 -2.0110 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0005 -2.3298 -2.2122 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7613 -1.0924 -0.2883 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5398 -0.3980 -0.7377 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3431 -1.1382 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1716 -1.1234 0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3834 -1.8442 -1.0209 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3887 -1.5383 -2.0412 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8341 -2.1876 -3.3537 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9123 -3.6634 -3.2921 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4638 -4.4412 -4.3374 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4878 -4.3185 -2.2858 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -2.0493 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2492 -2.7177 -0.4883 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7424 -1.9634 -2.1204 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4449 -1.4510 -1.6786 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2996 -2.5638 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5707 -3.2583 -0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5891 -2.9946 -0.9462 N 0 0 0 0 0 0 0 0 0 0 0 0
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-6.3318 -2.2123 -0.0392 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3971 -3.3254 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0
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-7.0815 -5.4578 -0.4410 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4376 -5.4187 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
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-8.1149 -10.2537 -0.1273 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8815 -9.4671 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9606 -8.4692 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6924 -8.7866 0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3711 -7.1693 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3923 -6.0713 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9923 -5.0355 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2067 -4.0713 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8001 -4.1112 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2031 -5.1626 2.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0094 -6.1535 2.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3495 -7.1012 2.9314 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7068 -0.9462 0.7840 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.0140 -0.6010 0.5933 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8060 -0.6370 1.7315 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7100 -1.8847 1.6753 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.1030 -1.4992 1.2344 C 0 0 2 0 0 0 0 0 0 0 0 0
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-10.9764 -0.4000 0.2308 C 0 0 2 0 0 0 0 0 0 0 0 0
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-10.3294 0.7960 0.8898 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.4198 1.5638 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.6347 0.1316 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6574 0.3362 1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5712 1.1904 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4682 1.7931 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4363 1.6248 -0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.5363 0.7694 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0364 1.7773 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9383 0.5687 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3168 -0.1079 -1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3963 0.4796 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2491 1.7094 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0259 2.3829 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1445 3.6395 0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1749 4.8375 0.0741 C 0 0 1 0 0 0 0 0 0 0 0 0
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0.6732 6.7045 -2.5517 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6171 6.9380 -0.4199 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8983 8.0921 -0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 6.4161 0.9967 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5581 7.4252 1.8897 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1251 5.9851 0.9547 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7936 7.1373 0.6314 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 7.6830 1.6923 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9784 7.5370 1.4139 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4042 8.6714 0.5069 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8828 8.6512 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 8.5664 -0.7495 N 0 0 2 0 0 0 0 0 0 0 0 0
3.0446 9.9607 1.1992 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3239 11.0641 0.3791 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6050 10.0305 1.6007 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8107 10.6532 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0827 8.8909 2.1089 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2351 2.5149 0.9482 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6399 2.2425 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1488 2.4222 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5035 2.1148 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3410 1.6242 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8414 1.4616 1.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4833 1.7713 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 1.4782 3.4111 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.6975 1.0268 -0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6744 1.0883 0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8696 -3.9058 -1.3255 N 0 0 1 0 0 0 0 0 0 0 0 0
12.1546 -4.3836 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0120 -4.9713 -0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0601 -3.3231 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3190 -2.4634 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5063 -1.5583 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2880 -2.4283 2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9848 -4.5017 2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6492 -5.1519 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2868 -4.7020 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1712 -1.2992 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2039 -2.6250 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4872 -1.9849 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1001 -0.8546 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6640 -0.4130 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3021 -2.9122 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 -0.4656 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1930 -1.8229 -4.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8640 -1.8451 -3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0670 -5.3884 -4.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2518 -4.1290 -4.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -2.4280 -3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0291 -1.4545 -2.7257 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.5807 -4.9195 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4211 -5.1648 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.7574 -1.3113 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.3771 5.7166 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.1786 6.5476 0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.1388 7.6500 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
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65163 1 0 0 0 0
66164 1 0 0 0 0
70165 1 0 0 0 0
73166 1 0 0 0 0
75167 1 0 0 0 0
79168 1 6 0 0 0
81169 1 6 0 0 0
82170 1 0 0 0 0
82171 1 0 0 0 0
83172 1 0 0 0 0
84173 1 1 0 0 0
85174 1 0 0 0 0
86175 1 1 0 0 0
87176 1 0 0 0 0
88177 1 1 0 0 0
90178 1 1 0 0 0
91179 1 0 0 0 0
91180 1 0 0 0 0
93181 1 0 0 0 0
93182 1 0 0 0 0
93183 1 0 0 0 0
94184 1 0 0 0 0
94185 1 0 0 0 0
95186 1 1 0 0 0
96187 1 0 0 0 0
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98189 1 0 0 0 0
98190 1 0 0 0 0
98191 1 0 0 0 0
102192 1 0 0 0 0
103193 1 0 0 0 0
105194 1 0 0 0 0
108195 1 6 0 0 0
109196 1 0 0 0 0
111197 1 0 0 0 0
111198 1 0 0 0 0
111199 1 0 0 0 0
112200 1 0 0 0 0
112201 1 0 0 0 0
112202 1 0 0 0 0
M END
3D MOL for NP0021089 (Chloro-orienticin D)
RDKit 3D
202212 0 0 0 0 0 0 0 0999 V2000
13.5859 -2.5853 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2708 -2.9931 1.3966 C 0 0 2 0 0 0 0 0 0 0 0 0
12.2612 -4.4196 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0642 -2.4510 0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7126 -2.6925 -0.6336 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4346 -2.0110 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.1716 -1.1234 0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.2491 1.7094 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0259 2.3829 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1251 5.9851 0.9547 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7936 7.1373 0.6314 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 7.6830 1.6923 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9784 7.5370 1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4042 8.6714 0.5069 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8828 8.6512 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 8.5664 -0.7495 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0446 9.9607 1.1992 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3239 11.0641 0.3791 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6050 10.0305 1.6007 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8107 10.6532 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0827 8.8909 2.1089 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2351 2.5149 0.9482 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6399 2.2425 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1488 2.4222 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5035 2.1148 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3410 1.6242 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8414 1.4616 1.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4833 1.7713 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 1.4782 3.4111 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.6975 1.0268 -0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6744 1.0883 0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8696 -3.9058 -1.3255 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1546 -4.3836 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0120 -4.9713 -0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0601 -3.3231 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3190 -2.4634 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5063 -1.5583 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.2039 -2.6250 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.3021 -2.9122 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 -0.4656 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.2518 -4.1290 -4.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -2.4280 -3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.3258 6.9583 2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.4649 8.9462 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.6660 10.0988 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0337 11.8819 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5501 10.8153 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
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100101 1 0
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110112 1 0
108 9 1 0
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58155 1 0
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60158 1 0
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102192 1 0
103193 1 0
105194 1 0
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109196 1 0
111197 1 0
111198 1 0
111199 1 0
112200 1 0
112201 1 0
112202 1 0
M END
3D SDF for NP0021089 (Chloro-orienticin D)
Mrv1652307042107573D
202212 0 0 0 0 999 V2000
13.5859 -2.5853 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2708 -2.9931 1.3966 C 0 0 2 0 0 0 0 0 0 0 0 0
12.2612 -4.4196 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0642 -2.4510 0.7504 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7126 -2.6925 -0.6336 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4346 -2.0110 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0005 -2.3298 -2.2122 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7613 -1.0924 -0.2883 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5398 -0.3980 -0.7377 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3431 -1.1382 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1716 -1.1234 0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3834 -1.8442 -1.0209 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3887 -1.5383 -2.0412 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8341 -2.1876 -3.3537 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9123 -3.6634 -3.2921 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4638 -4.4412 -4.3374 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4878 -4.3185 -2.2858 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -2.0493 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2492 -2.7177 -0.4883 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7424 -1.9634 -2.1204 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4449 -1.4510 -1.6786 C 0 0 1 0 0 0 0 0 0 0 0 0
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3.0446 9.9607 1.1992 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3239 11.0641 0.3791 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6050 10.0305 1.6007 C 0 0 1 0 0 0 0 0 0 0 0 0
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1.0827 8.8909 2.1089 O 0 0 0 0 0 0 0 0 0 0 0 0
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12.1546 -4.3836 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.2868 -4.7020 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.2039 -2.6250 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4872 -1.9849 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1001 -0.8546 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6640 -0.4130 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3021 -2.9122 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 -0.4656 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1930 -1.8229 -4.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.3771 5.7166 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3258 6.9583 2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1786 6.5476 0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5300 7.7124 2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1388 7.6500 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4649 8.9462 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.8917 7.6299 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.6660 10.0988 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0337 11.8819 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5501 10.8153 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.6701 2.8592 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6563 2.3709 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2856 1.1323 2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2361 1.5260 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6410 1.9627 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6082 -5.1843 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
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9.3675 -5.2559 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5750 -5.8585 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
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3119 1 0 0 0 0
4120 1 0 0 0 0
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12125 1 0 0 0 0
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14127 1 0 0 0 0
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21132 1 6 0 0 0
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58155 1 0 0 0 0
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60158 1 0 0 0 0
61159 1 1 0 0 0
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70165 1 0 0 0 0
73166 1 0 0 0 0
75167 1 0 0 0 0
79168 1 6 0 0 0
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102192 1 0 0 0 0
103193 1 0 0 0 0
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111198 1 0 0 0 0
111199 1 0 0 0 0
112200 1 0 0 0 0
112201 1 0 0 0 0
112202 1 0 0 0 0
M END
> <DATABASE_ID>
NP0021089
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]3([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C4=C([H])C([H])=C(OC5=C([H])C3=C([H])C(OC3=C([H])C([H])=C(C([H])=C3Cl)[C@@]2([H])O[C@@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@](N([H])[H])(C([H])([H])[H])C2([H])[H])=C5O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@](N([H])[H])(C([H])([H])[H])C2([H])[H])C(Cl)=C4[H])C([H])([H])C(=O)N([H])[H])C2=C([H])C([H])=C(O[H])C(=C2[H])C2=C(O[H])C([H])=C(O[H])C([H])=C12
> <INCHI_IDENTIFIER>
InChI=1S/C74H90Cl2N10O26/c1-27(2)15-40(86(7)8)66(98)84-55-57(92)31-10-13-43(37(75)17-31)107-45-19-33-20-46(61(45)112-72-62(59(94)58(93)47(26-87)109-72)111-50-25-74(6,79)64(96)29(4)106-50)108-44-14-11-32(18-38(44)76)60(110-49-24-73(5,78)63(95)28(3)105-49)56-70(102)83-54(71(103)104)36-21-34(88)22-42(90)51(36)35-16-30(9-12-41(35)89)52(67(99)85-56)82-68(100)53(33)81-65(97)39(23-48(77)91)80-69(55)101/h9-14,16-22,27-29,39-40,47,49-50,52-60,62-64,72,87-90,92-96H,15,23-26,78-79H2,1-8H3,(H2,77,91)(H,80,101)(H,81,97)(H,82,100)(H,83,102)(H,84,98)(H,85,99)(H,103,104)/t28-,29+,39-,40+,47+,49+,50-,52+,53+,54-,55+,56+,57+,58-,59-,60+,62-,63+,64-,72+,73-,74+/m0/s1
> <INCHI_KEY>
GXIYAZLYUMROIQ-IMJXUXAKSA-N
> <FORMULA>
C74H90Cl2N10O26
> <MOLECULAR_WEIGHT>
1606.48
> <EXACT_MASS>
1604.5404785
> <JCHEM_ACCEPTOR_COUNT>
27
> <JCHEM_ATOM_COUNT>
202
> <JCHEM_AVERAGE_POLARIZABILITY>
162.50700580378316
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
19
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,2R,18R,19R,22S,25R,28R,40S)-2-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-48-{[(2R,3S,4S,5R,6R)-3-{[(2S,4R,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-19-[(2R)-2-(dimethylamino)-4-methylpentanamido]-18,32,35,37-tetrahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
> <ALOGPS_LOGP>
0.01
> <JCHEM_LOGP>
-4.157729629355604
> <ALOGPS_LOGS>
-4.05
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
11
> <JCHEM_PHYSIOLOGICAL_CHARGE>
2
> <JCHEM_PKA>
9.15429671243116
> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9777241221032233
> <JCHEM_PKA_STRONGEST_BASIC>
9.935753185420559
> <JCHEM_POLAR_SURFACE_AREA>
566.1800000000002
> <JCHEM_REFRACTIVITY>
387.5577999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
15
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.45e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,18R,19R,22S,25R,28R,40S)-2-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-48-{[(2R,3S,4S,5R,6R)-3-{[(2S,4R,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-19-[(2R)-2-(dimethylamino)-4-methylpentanamido]-18,32,35,37-tetrahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0021089 (Chloro-orienticin D)
RDKit 3D
202212 0 0 0 0 0 0 0 0999 V2000
13.5859 -2.5853 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2708 -2.9931 1.3966 C 0 0 2 0 0 0 0 0 0 0 0 0
12.2612 -4.4196 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0642 -2.4510 0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7126 -2.6925 -0.6336 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4346 -2.0110 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0005 -2.3298 -2.2122 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7613 -1.0924 -0.2883 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5398 -0.3980 -0.7377 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3431 -1.1382 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1716 -1.1234 0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3834 -1.8442 -1.0209 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3887 -1.5383 -2.0412 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8341 -2.1876 -3.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9123 -3.6634 -3.2921 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4638 -4.4412 -4.3374 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4878 -4.3185 -2.2858 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0259 2.3829 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1445 3.6395 0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1749 4.8375 0.0741 C 0 0 1 0 0 0 0 0 0 0 0 0
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0.6732 6.7045 -2.5517 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3778 6.4161 0.9967 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5581 7.4252 1.8897 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1251 5.9851 0.9547 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7936 7.1373 0.6314 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 7.6830 1.6923 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9784 7.5370 1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4042 8.6714 0.5069 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8828 8.6512 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 8.5664 -0.7495 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0446 9.9607 1.1992 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3239 11.0641 0.3791 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6050 10.0305 1.6007 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8107 10.6532 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0827 8.8909 2.1089 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2351 2.5149 0.9482 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6399 2.2425 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1488 2.4222 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5035 2.1148 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3410 1.6242 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8414 1.4616 1.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4833 1.7713 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 1.4782 3.4111 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.6975 1.0268 -0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6744 1.0883 0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8696 -3.9058 -1.3255 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1546 -4.3836 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0120 -4.9713 -0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0601 -3.3231 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.2039 -2.6250 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.6640 -0.4130 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.3817 -0.4656 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1930 -1.8229 -4.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.0670 -5.3884 -4.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2518 -4.1290 -4.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -2.4280 -3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
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111198 1 0
111199 1 0
112200 1 0
112201 1 0
112202 1 0
M END
PDB for NP0021089 (Chloro-orienticin D)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 13.586 -2.585 0.799 0.00 0.00 C+0 HETATM 2 C UNK 0 12.271 -2.993 1.397 0.00 0.00 C+0 HETATM 3 C UNK 0 12.261 -4.420 1.816 0.00 0.00 C+0 HETATM 4 C UNK 0 11.064 -2.451 0.750 0.00 0.00 C+0 HETATM 5 C UNK 0 10.713 -2.692 -0.634 0.00 0.00 C+0 HETATM 6 C UNK 0 9.435 -2.011 -1.064 0.00 0.00 C+0 HETATM 7 O UNK 0 9.001 -2.330 -2.212 0.00 0.00 O+0 HETATM 8 N UNK 0 8.761 -1.092 -0.288 0.00 0.00 N+0 HETATM 9 C UNK 0 7.540 -0.398 -0.738 0.00 0.00 C+0 HETATM 10 C UNK 0 6.343 -1.138 -0.335 0.00 0.00 C+0 HETATM 11 O UNK 0 6.172 -1.123 0.951 0.00 0.00 O+0 HETATM 12 N UNK 0 5.383 -1.844 -1.021 0.00 0.00 N+0 HETATM 13 C UNK 0 4.389 -1.538 -2.041 0.00 0.00 C+0 HETATM 14 C UNK 0 4.834 -2.188 -3.354 0.00 0.00 C+0 HETATM 15 C UNK 0 4.912 -3.663 -3.292 0.00 0.00 C+0 HETATM 16 N UNK 0 5.464 -4.441 -4.337 0.00 0.00 N+0 HETATM 17 O UNK 0 4.488 -4.319 -2.286 0.00 0.00 O+0 HETATM 18 C UNK 0 3.020 -2.049 -1.615 0.00 0.00 C+0 HETATM 19 O UNK 0 3.249 -2.718 -0.488 0.00 0.00 O+0 HETATM 20 N UNK 0 1.742 -1.963 -2.120 0.00 0.00 N+0 HETATM 21 C UNK 0 0.445 -1.451 -1.679 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.300 -2.564 -0.989 0.00 0.00 C+0 HETATM 23 O UNK 0 0.571 -3.258 -0.270 0.00 0.00 O+0 HETATM 24 N UNK 0 -1.589 -2.995 -0.946 0.00 0.00 N+0 HETATM 25 C UNK 0 -2.796 -2.713 -0.228 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.886 -2.180 -1.061 0.00 0.00 C+0 HETATM 27 O UNK 0 -3.394 -1.834 -2.249 0.00 0.00 O+0 HETATM 28 N UNK 0 -5.229 -1.969 -0.914 0.00 0.00 N+0 HETATM 29 C UNK 0 -6.332 -2.212 -0.039 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.397 -3.325 0.865 0.00 0.00 C+0 HETATM 31 O UNK 0 -5.816 -3.229 2.040 0.00 0.00 O+0 HETATM 32 N UNK 0 -7.025 -4.558 0.653 0.00 0.00 N+0 HETATM 33 C UNK 0 -7.082 -5.458 -0.441 0.00 0.00 C+0 HETATM 34 C UNK 0 -8.438 -5.419 -1.036 0.00 0.00 C+0 HETATM 35 O UNK 0 -9.415 -4.787 -0.639 0.00 0.00 O+0 HETATM 36 O UNK 0 -8.627 -6.201 -2.213 0.00 0.00 O+0 HETATM 37 C UNK 0 -6.704 -6.886 -0.080 0.00 0.00 C+0 HETATM 38 C UNK 0 -7.566 -7.920 -0.222 0.00 0.00 C+0 HETATM 39 C UNK 0 -7.178 -9.251 0.036 0.00 0.00 C+0 HETATM 40 O UNK 0 -8.115 -10.254 -0.127 0.00 0.00 O+0 HETATM 41 C UNK 0 -5.882 -9.467 0.441 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.961 -8.469 0.603 0.00 0.00 C+0 HETATM 43 O UNK 0 -3.692 -8.787 0.988 0.00 0.00 O+0 HETATM 44 C UNK 0 -5.371 -7.169 0.346 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.392 -6.071 0.639 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.992 -5.035 -0.200 0.00 0.00 C+0 HETATM 47 C UNK 0 -3.207 -4.071 0.373 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.800 -4.111 1.706 0.00 0.00 C+0 HETATM 49 C UNK 0 -3.203 -5.163 2.515 0.00 0.00 C+0 HETATM 50 C UNK 0 -4.009 -6.154 2.004 0.00 0.00 C+0 HETATM 51 O UNK 0 -4.349 -7.101 2.931 0.00 0.00 O+0 HETATM 52 C UNK 0 -6.707 -0.946 0.784 0.00 0.00 C+0 HETATM 53 O UNK 0 -8.014 -0.601 0.593 0.00 0.00 O+0 HETATM 54 C UNK 0 -8.806 -0.637 1.732 0.00 0.00 C+0 HETATM 55 C UNK 0 -9.710 -1.885 1.675 0.00 0.00 C+0 HETATM 56 C UNK 0 -11.103 -1.499 1.234 0.00 0.00 C+0 HETATM 57 C UNK 0 -11.893 -1.134 2.472 0.00 0.00 C+0 HETATM 58 N UNK 0 -11.813 -2.594 0.590 0.00 0.00 N+0 HETATM 59 C UNK 0 -10.976 -0.400 0.231 0.00 0.00 C+0 HETATM 60 O UNK 0 -10.179 -0.853 -0.829 0.00 0.00 O+0 HETATM 61 C UNK 0 -10.329 0.796 0.890 0.00 0.00 C+0 HETATM 62 C UNK 0 -9.420 1.564 -0.046 0.00 0.00 C+0 HETATM 63 O UNK 0 -9.610 0.403 1.993 0.00 0.00 O+0 HETATM 64 C UNK 0 -5.635 0.132 0.567 0.00 0.00 C+0 HETATM 65 C UNK 0 -4.657 0.336 1.494 0.00 0.00 C+0 HETATM 66 C UNK 0 -3.571 1.190 1.134 0.00 0.00 C+0 HETATM 67 C UNK 0 -3.468 1.793 -0.066 0.00 0.00 C+0 HETATM 68 C UNK 0 -4.436 1.625 -0.991 0.00 0.00 C+0 HETATM 69 Cl UNK 0 -4.596 2.388 -2.637 0.00 0.00 Cl+0 HETATM 70 C UNK 0 -5.536 0.769 -0.650 0.00 0.00 C+0 HETATM 71 O UNK 0 -2.245 2.589 -0.345 0.00 0.00 O+0 HETATM 72 C UNK 0 -1.036 1.777 -0.457 0.00 0.00 C+0 HETATM 73 C UNK 0 -0.938 0.569 -1.084 0.00 0.00 C+0 HETATM 74 C UNK 0 0.317 -0.108 -1.030 0.00 0.00 C+0 HETATM 75 C UNK 0 1.396 0.480 -0.358 0.00 0.00 C+0 HETATM 76 C UNK 0 1.249 1.709 0.242 0.00 0.00 C+0 HETATM 77 C UNK 0 0.026 2.383 0.208 0.00 0.00 C+0 HETATM 78 O UNK 0 -0.145 3.640 0.821 0.00 0.00 O+0 HETATM 79 C UNK 0 0.175 4.838 0.074 0.00 0.00 C+0 HETATM 80 O UNK 0 -0.694 4.779 -1.000 0.00 0.00 O+0 HETATM 81 C UNK 0 -1.314 5.875 -1.435 0.00 0.00 C+0 HETATM 82 C UNK 0 -0.649 6.393 -2.696 0.00 0.00 C+0 HETATM 83 O UNK 0 0.673 6.705 -2.552 0.00 0.00 O+0 HETATM 84 C UNK 0 -1.617 6.938 -0.420 0.00 0.00 C+0 HETATM 85 O UNK 0 -0.898 8.092 -0.531 0.00 0.00 O+0 HETATM 86 C UNK 0 -1.378 6.416 0.997 0.00 0.00 C+0 HETATM 87 O UNK 0 -1.558 7.425 1.890 0.00 0.00 O+0 HETATM 88 C UNK 0 0.125 5.985 0.955 0.00 0.00 C+0 HETATM 89 O UNK 0 0.794 7.137 0.631 0.00 0.00 O+0 HETATM 90 C UNK 0 1.518 7.683 1.692 0.00 0.00 C+0 HETATM 91 C UNK 0 2.978 7.537 1.414 0.00 0.00 C+0 HETATM 92 C UNK 0 3.404 8.671 0.507 0.00 0.00 C+0 HETATM 93 C UNK 0 4.883 8.651 0.227 0.00 0.00 C+0 HETATM 94 N UNK 0 2.686 8.566 -0.750 0.00 0.00 N+0 HETATM 95 C UNK 0 3.045 9.961 1.199 0.00 0.00 C+0 HETATM 96 O UNK 0 3.324 11.064 0.379 0.00 0.00 O+0 HETATM 97 C UNK 0 1.605 10.030 1.601 0.00 0.00 C+0 HETATM 98 C UNK 0 0.811 10.653 0.478 0.00 0.00 C+0 HETATM 99 O UNK 0 1.083 8.891 2.109 0.00 0.00 O+0 HETATM 100 O UNK 0 2.235 2.515 0.948 0.00 0.00 O+0 HETATM 101 C UNK 0 3.640 2.243 0.700 0.00 0.00 C+0 HETATM 102 C UNK 0 4.149 2.422 -0.546 0.00 0.00 C+0 HETATM 103 C UNK 0 5.503 2.115 -0.877 0.00 0.00 C+0 HETATM 104 C UNK 0 6.341 1.624 0.081 0.00 0.00 C+0 HETATM 105 C UNK 0 5.841 1.462 1.352 0.00 0.00 C+0 HETATM 106 C UNK 0 4.483 1.771 1.664 0.00 0.00 C+0 HETATM 107 Cl UNK 0 4.164 1.478 3.411 0.00 0.00 Cl+0 HETATM 108 C UNK 0 7.697 1.027 -0.306 0.00 0.00 C+0 HETATM 109 O UNK 0 8.674 1.088 0.689 0.00 0.00 O+0 HETATM 110 N UNK 0 10.870 -3.906 -1.325 0.00 0.00 N+0 HETATM 111 C UNK 0 12.155 -4.384 -1.677 0.00 0.00 C+0 HETATM 112 C UNK 0 10.012 -4.971 -0.816 0.00 0.00 C+0 HETATM 113 H UNK 0 14.060 -3.323 0.144 0.00 0.00 H+0 HETATM 114 H UNK 0 14.319 -2.463 1.660 0.00 0.00 H+0 HETATM 115 H UNK 0 13.506 -1.558 0.381 0.00 0.00 H+0 HETATM 116 H UNK 0 12.288 -2.428 2.430 0.00 0.00 H+0 HETATM 117 H UNK 0 12.985 -4.502 2.688 0.00 0.00 H+0 HETATM 118 H UNK 0 12.649 -5.152 1.091 0.00 0.00 H+0 HETATM 119 H UNK 0 11.287 -4.702 2.251 0.00 0.00 H+0 HETATM 120 H UNK 0 11.171 -1.299 0.860 0.00 0.00 H+0 HETATM 121 H UNK 0 10.204 -2.625 1.472 0.00 0.00 H+0 HETATM 122 H UNK 0 11.487 -1.985 -1.233 0.00 0.00 H+0 HETATM 123 H UNK 0 9.100 -0.855 0.679 0.00 0.00 H+0 HETATM 124 H UNK 0 7.664 -0.413 -1.863 0.00 0.00 H+0 HETATM 125 H UNK 0 5.302 -2.912 -0.764 0.00 0.00 H+0 HETATM 126 H UNK 0 4.382 -0.466 -2.216 0.00 0.00 H+0 HETATM 127 H UNK 0 4.193 -1.823 -4.175 0.00 0.00 H+0 HETATM 128 H UNK 0 5.864 -1.845 -3.631 0.00 0.00 H+0 HETATM 129 H UNK 0 5.067 -5.388 -4.528 0.00 0.00 H+0 HETATM 130 H UNK 0 6.252 -4.129 -4.932 0.00 0.00 H+0 HETATM 131 H UNK 0 1.555 -2.428 -3.121 0.00 0.00 H+0 HETATM 132 H UNK 0 -0.029 -1.454 -2.726 0.00 0.00 H+0 HETATM 133 H UNK 0 -1.802 -3.872 -1.649 0.00 0.00 H+0 HETATM 134 H UNK 0 -2.631 -1.962 0.535 0.00 0.00 H+0 HETATM 135 H UNK 0 -5.641 -1.406 -1.828 0.00 0.00 H+0 HETATM 136 H UNK 0 -7.218 -2.374 -0.761 0.00 0.00 H+0 HETATM 137 H UNK 0 -7.581 -4.920 1.517 0.00 0.00 H+0 HETATM 138 H UNK 0 -6.421 -5.165 -1.295 0.00 0.00 H+0 HETATM 139 H UNK 0 -9.530 -6.477 -2.498 0.00 0.00 H+0 HETATM 140 H UNK 0 -8.600 -7.727 -0.545 0.00 0.00 H+0 HETATM 141 H UNK 0 -8.743 -10.598 0.600 0.00 0.00 H+0 HETATM 142 H UNK 0 -5.633 -10.522 0.628 0.00 0.00 H+0 HETATM 143 H UNK 0 -2.921 -8.166 1.073 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.207 -5.057 -1.325 0.00 0.00 H+0 HETATM 145 H UNK 0 -2.162 -3.316 2.128 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.861 -5.188 3.567 0.00 0.00 H+0 HETATM 147 H UNK 0 -5.052 -7.820 2.858 0.00 0.00 H+0 HETATM 148 H UNK 0 -6.757 -1.311 1.828 0.00 0.00 H+0 HETATM 149 H UNK 0 -8.122 -0.877 2.593 0.00 0.00 H+0 HETATM 150 H UNK 0 -9.792 -2.365 2.656 0.00 0.00 H+0 HETATM 151 H UNK 0 -9.302 -2.610 0.945 0.00 0.00 H+0 HETATM 152 H UNK 0 -11.725 -0.113 2.832 0.00 0.00 H+0 HETATM 153 H UNK 0 -11.673 -1.937 3.209 0.00 0.00 H+0 HETATM 154 H UNK 0 -12.984 -1.242 2.241 0.00 0.00 H+0 HETATM 155 H UNK 0 -11.832 -3.464 1.134 0.00 0.00 H+0 HETATM 156 H UNK 0 -12.802 -2.274 0.491 0.00 0.00 H+0 HETATM 157 H UNK 0 -11.986 -0.213 -0.174 0.00 0.00 H+0 HETATM 158 H UNK 0 -10.700 -1.088 -1.629 0.00 0.00 H+0 HETATM 159 H UNK 0 -11.179 1.472 1.234 0.00 0.00 H+0 HETATM 160 H UNK 0 -9.141 0.862 -0.873 0.00 0.00 H+0 HETATM 161 H UNK 0 -8.499 1.829 0.497 0.00 0.00 H+0 HETATM 162 H UNK 0 -9.937 2.445 -0.442 0.00 0.00 H+0 HETATM 163 H UNK 0 -4.497 -0.031 2.555 0.00 0.00 H+0 HETATM 164 H UNK 0 -2.924 1.268 2.061 0.00 0.00 H+0 HETATM 165 H UNK 0 -6.214 0.815 -1.546 0.00 0.00 H+0 HETATM 166 H UNK 0 -1.821 0.196 -1.692 0.00 0.00 H+0 HETATM 167 H UNK 0 2.377 -0.091 -0.213 0.00 0.00 H+0 HETATM 168 H UNK 0 1.174 4.641 -0.356 0.00 0.00 H+0 HETATM 169 H UNK 0 -2.339 5.532 -1.812 0.00 0.00 H+0 HETATM 170 H UNK 0 -1.245 7.223 -3.156 0.00 0.00 H+0 HETATM 171 H UNK 0 -0.726 5.562 -3.448 0.00 0.00 H+0 HETATM 172 H UNK 0 1.266 6.125 -3.126 0.00 0.00 H+0 HETATM 173 H UNK 0 -2.712 7.234 -0.420 0.00 0.00 H+0 HETATM 174 H UNK 0 -0.541 8.312 -1.409 0.00 0.00 H+0 HETATM 175 H UNK 0 -2.011 5.558 1.252 0.00 0.00 H+0 HETATM 176 H UNK 0 -1.678 7.027 2.814 0.00 0.00 H+0 HETATM 177 H UNK 0 0.377 5.717 2.012 0.00 0.00 H+0 HETATM 178 H UNK 0 1.326 6.958 2.555 0.00 0.00 H+0 HETATM 179 H UNK 0 3.179 6.548 0.986 0.00 0.00 H+0 HETATM 180 H UNK 0 3.530 7.712 2.377 0.00 0.00 H+0 HETATM 181 H UNK 0 5.139 7.650 -0.158 0.00 0.00 H+0 HETATM 182 H UNK 0 5.465 8.946 1.112 0.00 0.00 H+0 HETATM 183 H UNK 0 5.091 9.373 -0.568 0.00 0.00 H+0 HETATM 184 H UNK 0 2.892 7.630 -1.154 0.00 0.00 H+0 HETATM 185 H UNK 0 3.021 9.296 -1.404 0.00 0.00 H+0 HETATM 186 H UNK 0 3.666 10.099 2.105 0.00 0.00 H+0 HETATM 187 H UNK 0 3.034 11.882 0.857 0.00 0.00 H+0 HETATM 188 H UNK 0 1.550 10.815 2.429 0.00 0.00 H+0 HETATM 189 H UNK 0 -0.265 10.488 0.753 0.00 0.00 H+0 HETATM 190 H UNK 0 0.932 10.134 -0.494 0.00 0.00 H+0 HETATM 191 H UNK 0 0.990 11.735 0.457 0.00 0.00 H+0 HETATM 192 H UNK 0 3.670 2.859 -1.485 0.00 0.00 H+0 HETATM 193 H UNK 0 5.656 2.371 -1.977 0.00 0.00 H+0 HETATM 194 H UNK 0 6.286 1.132 2.325 0.00 0.00 H+0 HETATM 195 H UNK 0 8.236 1.526 -1.129 0.00 0.00 H+0 HETATM 196 H UNK 0 8.641 1.963 1.151 0.00 0.00 H+0 HETATM 197 H UNK 0 12.608 -5.184 -1.115 0.00 0.00 H+0 HETATM 198 H UNK 0 12.857 -3.540 -1.894 0.00 0.00 H+0 HETATM 199 H UNK 0 12.022 -4.839 -2.725 0.00 0.00 H+0 HETATM 200 H UNK 0 9.353 -4.557 -0.061 0.00 0.00 H+0 HETATM 201 H UNK 0 9.367 -5.256 -1.686 0.00 0.00 H+0 HETATM 202 H UNK 0 10.575 -5.859 -0.523 0.00 0.00 H+0 CONECT 1 2 113 114 115 CONECT 2 1 3 4 116 CONECT 3 2 117 118 119 CONECT 4 2 5 120 121 CONECT 5 4 6 110 122 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 123 CONECT 9 8 10 108 124 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 125 CONECT 13 12 14 18 126 CONECT 14 13 15 127 128 CONECT 15 14 16 17 CONECT 16 15 129 130 CONECT 17 15 CONECT 18 13 19 20 CONECT 19 18 CONECT 20 18 21 131 CONECT 21 20 22 74 132 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 133 CONECT 25 24 26 47 134 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 135 CONECT 29 28 30 52 136 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 137 CONECT 33 32 34 37 138 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 139 CONECT 37 33 38 44 CONECT 38 37 39 140 CONECT 39 38 40 41 CONECT 40 39 141 CONECT 41 39 42 142 CONECT 42 41 43 44 CONECT 43 42 143 CONECT 44 42 45 37 CONECT 45 44 46 50 CONECT 46 45 47 144 CONECT 47 46 48 25 CONECT 48 47 49 145 CONECT 49 48 50 146 CONECT 50 49 51 45 CONECT 51 50 147 CONECT 52 29 53 64 148 CONECT 53 52 54 CONECT 54 53 55 63 149 CONECT 55 54 56 150 151 CONECT 56 55 57 58 59 CONECT 57 56 152 153 154 CONECT 58 56 155 156 CONECT 59 56 60 61 157 CONECT 60 59 158 CONECT 61 59 62 63 159 CONECT 62 61 160 161 162 CONECT 63 61 54 CONECT 64 52 65 70 CONECT 65 64 66 163 CONECT 66 65 67 164 CONECT 67 66 68 71 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 64 165 CONECT 71 67 72 CONECT 72 71 73 77 CONECT 73 72 74 166 CONECT 74 73 75 21 CONECT 75 74 76 167 CONECT 76 75 77 100 CONECT 77 76 78 72 CONECT 78 77 79 CONECT 79 78 80 88 168 CONECT 80 79 81 CONECT 81 80 82 84 169 CONECT 82 81 83 170 171 CONECT 83 82 172 CONECT 84 81 85 86 173 CONECT 85 84 174 CONECT 86 84 87 88 175 CONECT 87 86 176 CONECT 88 86 89 79 177 CONECT 89 88 90 CONECT 90 89 91 99 178 CONECT 91 90 92 179 180 CONECT 92 91 93 94 95 CONECT 93 92 181 182 183 CONECT 94 92 184 185 CONECT 95 92 96 97 186 CONECT 96 95 187 CONECT 97 95 98 99 188 CONECT 98 97 189 190 191 CONECT 99 97 90 CONECT 100 76 101 CONECT 101 100 102 106 CONECT 102 101 103 192 CONECT 103 102 104 193 CONECT 104 103 105 108 CONECT 105 104 106 194 CONECT 106 105 107 101 CONECT 107 106 CONECT 108 104 109 9 195 CONECT 109 108 196 CONECT 110 5 111 112 CONECT 111 110 197 198 199 CONECT 112 110 200 201 202 CONECT 113 1 CONECT 114 1 CONECT 115 1 CONECT 116 2 CONECT 117 3 CONECT 118 3 CONECT 119 3 CONECT 120 4 CONECT 121 4 CONECT 122 5 CONECT 123 8 CONECT 124 9 CONECT 125 12 CONECT 126 13 CONECT 127 14 CONECT 128 14 CONECT 129 16 CONECT 130 16 CONECT 131 20 CONECT 132 21 CONECT 133 24 CONECT 134 25 CONECT 135 28 CONECT 136 29 CONECT 137 32 CONECT 138 33 CONECT 139 36 CONECT 140 38 CONECT 141 40 CONECT 142 41 CONECT 143 43 CONECT 144 46 CONECT 145 48 CONECT 146 49 CONECT 147 51 CONECT 148 52 CONECT 149 54 CONECT 150 55 CONECT 151 55 CONECT 152 57 CONECT 153 57 CONECT 154 57 CONECT 155 58 CONECT 156 58 CONECT 157 59 CONECT 158 60 CONECT 159 61 CONECT 160 62 CONECT 161 62 CONECT 162 62 CONECT 163 65 CONECT 164 66 CONECT 165 70 CONECT 166 73 CONECT 167 75 CONECT 168 79 CONECT 169 81 CONECT 170 82 CONECT 171 82 CONECT 172 83 CONECT 173 84 CONECT 174 85 CONECT 175 86 CONECT 176 87 CONECT 177 88 CONECT 178 90 CONECT 179 91 CONECT 180 91 CONECT 181 93 CONECT 182 93 CONECT 183 93 CONECT 184 94 CONECT 185 94 CONECT 186 95 CONECT 187 96 CONECT 188 97 CONECT 189 98 CONECT 190 98 CONECT 191 98 CONECT 192 102 CONECT 193 103 CONECT 194 105 CONECT 195 108 CONECT 196 109 CONECT 197 111 CONECT 198 111 CONECT 199 111 CONECT 200 112 CONECT 201 112 CONECT 202 112 MASTER 0 0 0 0 0 0 0 0 202 0 424 0 END SMILES for NP0021089 (Chloro-orienticin D)[H]OC(=O)[C@@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]3([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C4=C([H])C([H])=C(OC5=C([H])C3=C([H])C(OC3=C([H])C([H])=C(C([H])=C3Cl)[C@@]2([H])O[C@@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@](N([H])[H])(C([H])([H])[H])C2([H])[H])=C5O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@](N([H])[H])(C([H])([H])[H])C2([H])[H])C(Cl)=C4[H])C([H])([H])C(=O)N([H])[H])C2=C([H])C([H])=C(O[H])C(=C2[H])C2=C(O[H])C([H])=C(O[H])C([H])=C12 INCHI for NP0021089 (Chloro-orienticin D)InChI=1S/C74H90Cl2N10O26/c1-27(2)15-40(86(7)8)66(98)84-55-57(92)31-10-13-43(37(75)17-31)107-45-19-33-20-46(61(45)112-72-62(59(94)58(93)47(26-87)109-72)111-50-25-74(6,79)64(96)29(4)106-50)108-44-14-11-32(18-38(44)76)60(110-49-24-73(5,78)63(95)28(3)105-49)56-70(102)83-54(71(103)104)36-21-34(88)22-42(90)51(36)35-16-30(9-12-41(35)89)52(67(99)85-56)82-68(100)53(33)81-65(97)39(23-48(77)91)80-69(55)101/h9-14,16-22,27-29,39-40,47,49-50,52-60,62-64,72,87-90,92-96H,15,23-26,78-79H2,1-8H3,(H2,77,91)(H,80,101)(H,81,97)(H,82,100)(H,83,102)(H,84,98)(H,85,99)(H,103,104)/t28-,29+,39-,40+,47+,49+,50-,52+,53+,54-,55+,56+,57+,58-,59-,60+,62-,63+,64-,72+,73-,74+/m0/s1 3D Structure for NP0021089 (Chloro-orienticin D) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C74H90Cl2N10O26 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1606.4800 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1604.54048 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,2R,18R,19R,22S,25R,28R,40S)-2-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-48-{[(2R,3S,4S,5R,6R)-3-{[(2S,4R,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-19-[(2R)-2-(dimethylamino)-4-methylpentanamido]-18,32,35,37-tetrahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,2R,18R,19R,22S,25R,28R,40S)-2-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-48-{[(2R,3S,4S,5R,6R)-3-{[(2S,4R,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-19-[(2R)-2-(dimethylamino)-4-methylpentanamido]-18,32,35,37-tetrahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)C[C@@H](N(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC(Cl)=C(OC3=CC4=CC(OC5=C(Cl)C=C(C=C5)[C@@H](OC5CC(C)(N)C(O)C(C)O5)C5NC(=O)C(NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)C1=CC(=C(O)C=C1)C1=C(O)C=C(O)C=C1[C@H](NC5=O)C(O)=O)=C3OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)C=C2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C74H90Cl2N10O26/c1-27(2)15-40(86(7)8)66(98)84-55-57(92)31-10-13-43(37(75)17-31)107-45-19-33-20-46(61(45)112-72-62(59(94)58(93)47(26-87)109-72)111-50-25-74(6,79)64(96)29(4)106-50)108-44-14-11-32(18-38(44)76)60(110-49-24-73(5,78)63(95)28(3)105-49)56-70(102)83-54(71(103)104)36-21-34(88)22-42(90)51(36)35-16-30(9-12-41(35)89)52(67(99)85-56)82-68(100)53(33)81-65(97)39(23-48(77)91)80-69(55)101/h9-14,16-22,27-29,39-40,47,49-50,52-60,62-64,72,87-90,92-96H,15,23-26,78-79H2,1-8H3,(H2,77,91)(H,80,101)(H,81,97)(H,82,100)(H,83,102)(H,84,98)(H,85,99)(H,103,104)/t28?,29?,39-,40+,47?,49?,50?,52?,53+,54-,55+,56?,57+,58?,59?,60+,62?,63?,64?,72?,73?,74?/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | GXIYAZLYUMROIQ-IMJXUXAKSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA017370 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78445323 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139587921 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
