Showing NP-Card for 3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+ (NP0025794)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-06-19 17:49:18 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-06-29 23:50:57 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0025794 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | 3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | JEOL Database | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | 3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+ is found in Acanthophyllum squarrosum. 3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+ was first documented in 2001 (Gaidi, G., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)
Mrv1652306192119493D
181190 0 0 0 0 999 V2000
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M END
3D MOL for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)
RDKit 3D
181190 0 0 0 0 0 0 0 0999 V2000
2.5466 6.4294 -1.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1748 7.4313 -2.3920 C 0 0 1 0 0 0 0 0 0 0 0 0
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1.6855 7.4290 -4.7619 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4545 7.3378 -5.9617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 6.4191 -6.9241 C 0 0 2 0 0 0 0 0 0 0 0 0
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2.0341 2.2064 -2.8341 C 0 0 2 0 0 0 0 0 0 0 0 0
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4.4553 3.3299 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6563 3.1872 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3031 1.7865 1.2884 C 0 0 2 0 0 0 0 0 0 0 0 0
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7.1605 1.6531 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2400 0.6525 1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8149 1.1550 1.6429 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7269 0.0877 1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3432 0.6114 2.3234 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4850 1.0435 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9548 1.8825 1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0679 2.9114 1.2388 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3675 3.6274 2.4389 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 3.4952 -3.6718 C 0 0 1 0 0 0 0 0 0 0 0 0
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2.4744 4.1272 -7.7075 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.8570 5.7922 -9.3634 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.3975 3.9575 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3332 3.4121 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6793 1.6919 3.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7681 0.6782 2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9961 2.4323 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5515 1.7370 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.5377 -0.1036 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.7596 -0.7475 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 0.1956 4.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6112 1.6067 4.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3418 1.6991 3.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6044 1.5921 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1101 2.3853 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 3.6665 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7050 3.6456 -9.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5627 5.7188 -10.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.5354 6.7004 -8.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2889 8.0293 -9.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3452 9.4574 -4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2577 9.3072 -6.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
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65 66 1 0
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42 67 1 0
62 63 2 0
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58 59 1 0
29 28 1 0
42 41 1 0
67 69 1 0
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40 41 1 0
39 69 1 0
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39 38 1 0
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4 5 1 0
2 1 1 0
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84 85 1 0
71 72 1 0
72 31 1 0
38 31 1 0
50 51 1 0
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47 60 1 0
6 7 1 0
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43 42 1 0
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22 20 1 0
22 24 1 0
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15 16 1 0
16 17 1 0
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18 19 1 0
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72 73 1 0
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17102 1 1
24110 1 6
25111 1 0
22108 1 1
23109 1 0
19105 1 0
73167 1 0
M END
3D SDF for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)
Mrv1652306192119493D
181190 0 0 0 0 999 V2000
2.5466 6.4294 -1.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1748 7.4313 -2.3920 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4149 6.8238 -3.6807 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6855 7.4290 -4.7619 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4545 7.3378 -5.9617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 6.4191 -6.9241 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2502 4.9542 -6.5617 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1788 4.4519 -5.7568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4769 3.2037 -5.0954 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1690 2.3912 -5.0426 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1938 1.9808 -6.3675 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3335 1.1655 -4.1295 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9725 0.3564 -3.9988 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1247 1.1474 -3.6851 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1404 1.6166 -2.3317 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7883 3.0042 -2.3427 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 3.5644 -1.0300 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2462 5.0116 -1.1577 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0878 5.6229 0.1197 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 3.4921 -0.3380 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0418 3.9282 1.0267 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6034 2.0478 -0.3429 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9513 1.9940 0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5520 1.4297 -1.7413 C 0 0 2 0 0 0 0 0 0 0 0 0
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0.7663 1.5549 -2.8212 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0341 2.2064 -2.8341 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3482 2.6026 -1.4887 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0220 1.6822 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 0.5829 -1.1609 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3483 2.2593 0.6496 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4553 3.3299 0.4206 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6563 3.1872 1.3499 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3031 1.7865 1.2884 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2405 1.6386 2.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1605 1.6531 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2400 0.6525 1.3085 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8149 1.1550 1.6429 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7269 0.0877 1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9652 -1.2301 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9933 -2.3405 1.9899 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7323 -1.8900 2.7570 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2959 -3.0683 3.0460 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6757 -3.8901 1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4004 -4.0829 4.0127 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5823 -4.8854 4.8535 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4778 -4.0238 5.7603 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7761 -4.6523 5.8361 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8692 -5.6720 6.8421 C 0 0 2 0 0 0 0 0 0 0 0 0
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-1.1828 -8.9671 7.1332 C 0 0 1 0 0 0 0 0 0 0 0 0
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-3.5959 -8.3597 7.6111 C 0 0 1 0 0 0 0 0 0 0 0 0
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-4.3562 -6.0711 6.9185 C 0 0 1 0 0 0 0 0 0 0 0 0
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-1.6535 -2.5501 5.2506 C 0 0 1 0 0 0 0 0 0 0 0 0
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0.3693 -2.0845 6.5533 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6352 -2.5396 3.6799 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1399 -1.2651 2.9703 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1202 -0.1408 2.8640 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1920 -0.5456 2.1475 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1366 -0.7268 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3432 0.6114 2.3234 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4850 1.0435 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9548 1.8825 1.4936 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0679 2.9114 1.2388 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3675 3.6274 2.4389 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 3.4952 -3.6718 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2653 4.1171 -3.7000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4744 4.1272 -7.7075 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5738 4.4092 -8.7672 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8570 5.7922 -9.3634 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6435 6.3586 -9.8884 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 6.7576 -8.3134 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0899 8.1128 -8.6588 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3921 8.9257 -4.5341 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7051 9.5148 -5.6496 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5555 9.1123 -3.2593 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8420 9.2321 -3.5673 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7249 7.9267 -2.2954 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3196 8.2821 -0.9744 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5752 6.0805 -1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9080 5.5444 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4673 6.8689 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8654 8.2786 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 6.8936 -4.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8095 6.5719 -6.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1791 4.9459 -5.9854 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2329 2.6539 -5.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6241 3.0559 -4.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 1.8565 -6.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0856 0.4838 -4.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1882 -0.1296 -4.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8665 -0.4410 -3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4245 1.0514 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 3.0200 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2848 5.0226 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9459 5.6086 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 6.4726 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8282 4.1299 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4759 4.7326 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0144 1.4400 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9446 2.5480 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3033 1.8904 -2.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7472 0.0281 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8096 1.5412 -3.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8200 3.2977 -0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0433 4.3397 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3975 3.9575 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3332 3.4121 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6793 1.6919 3.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7681 0.6782 2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9961 2.4323 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5515 1.7370 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6678 0.6820 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9312 2.4309 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5377 -0.1036 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2341 0.1273 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9401 1.6227 2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9350 -1.5779 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 -2.7863 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 -3.1104 2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0924 -1.6209 3.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -3.3506 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 -4.7950 2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1997 -4.2310 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0241 -4.7817 3.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 -3.5748 4.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0126 -5.5831 5.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1974 -5.5176 4.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0512 -4.0054 6.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5483 -5.2426 7.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8358 -7.4336 8.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5033 -9.4742 6.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1861 -8.5587 6.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9713 -10.1067 8.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9043 -8.8207 6.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6777 -9.4821 8.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3591 -6.8325 8.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4446 -6.8677 7.9536 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7163 -6.3964 5.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9531 -4.2451 6.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8510 -2.4117 5.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0613 -2.1473 6.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0358 -0.8812 5.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6796 -0.5883 5.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4112 -3.2810 3.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0445 -0.8814 3.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 -1.5331 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9275 0.2252 3.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5866 0.7026 2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6877 -1.6367 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7759 0.0822 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7596 -0.7475 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 0.1956 4.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6112 1.6067 4.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3418 1.6991 3.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6044 1.5921 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1101 2.3853 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 3.6665 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5520 4.0724 2.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2884 4.2052 -3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 5.0832 -3.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 4.3173 -8.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7050 3.6456 -9.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5627 5.7188 -10.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3358 5.7698 -10.6027 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5354 6.7004 -8.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2889 8.0293 -9.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3452 9.4574 -4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2577 9.3072 -6.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8343 10.0541 -2.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 9.6642 -4.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0464 7.1249 -2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4805 8.8368 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
65 66 1 0 0 0 0
43 44 1 6 0 0 0
66 67 1 0 0 0 0
34 36 1 6 0 0 0
42 67 1 0 0 0 0
62 63 2 0 0 0 0
49 48 1 0 0 0 0
62152 1 0 0 0 0
58 59 1 0 0 0 0
29 28 1 0 0 0 0
42 41 1 0 0 0 0
67 69 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
39 69 1 0 0 0 0
52 53 1 0 0 0 0
46 47 1 0 0 0 0
58 56 1 0 0 0 0
58 49 1 0 0 0 0
39 38 1 0 0 0 0
69 71 1 0 0 0 0
84 82 1 0 0 0 0
84 86 1 0 0 0 0
2 86 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 82 1 0 0 0 0
4 5 1 0 0 0 0
2 1 1 0 0 0 0
86 87 1 0 0 0 0
84 85 1 0 0 0 0
71 72 1 0 0 0 0
72 31 1 0 0 0 0
38 31 1 0 0 0 0
50 51 1 0 0 0 0
46 45 1 0 0 0 0
47 60 1 0 0 0 0
6 7 1 0 0 0 0
6 80 1 0 0 0 0
78 80 1 0 0 0 0
78 77 1 0 0 0 0
77 76 1 0 0 0 0
76 7 1 0 0 0 0
78 79 1 0 0 0 0
80 81 1 0 0 0 0
6 5 1 0 0 0 0
60 64 1 0 0 0 0
43 45 1 0 0 0 0
38 37 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 37 1 0 0 0 0
47 48 1 0 0 0 0
43 64 1 0 0 0 0
9 10 1 0 0 0 0
9 74 1 0 0 0 0
27 74 1 0 0 0 0
27 26 1 0 0 0 0
26 12 1 0 0 0 0
12 10 1 0 0 0 0
27 28 1 0 0 0 0
74 75 1 0 0 0 0
9 8 1 0 0 0 0
60 61 1 0 0 0 0
13 14 1 0 0 0 0
51 54 1 0 0 0 0
67 68 1 6 0 0 0
54 56 1 0 0 0 0
34 35 1 0 0 0 0
69 70 1 1 0 0 0
60 62 1 1 0 0 0
43 42 1 0 0 0 0
31 29 1 6 0 0 0
22 20 1 0 0 0 0
22 24 1 0 0 0 0
15 24 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 20 1 0 0 0 0
15 14 1 0 0 0 0
24 25 1 0 0 0 0
22 23 1 0 0 0 0
64 65 1 0 0 0 0
18 19 1 0 0 0 0
29 30 2 0 0 0 0
72 73 1 0 0 0 0
49 50 1 0 0 0 0
56 57 1 0 0 0 0
54 55 1 0 0 0 0
51 52 1 0 0 0 0
82 83 1 0 0 0 0
7 8 1 0 0 0 0
10 11 1 0 0 0 0
12 13 1 0 0 0 0
20 21 1 0 0 0 0
17 18 1 0 0 0 0
57146 1 0 0 0 0
56145 1 1 0 0 0
55144 1 0 0 0 0
54143 1 6 0 0 0
49138 1 1 0 0 0
58147 1 6 0 0 0
59148 1 0 0 0 0
52140 1 0 0 0 0
52141 1 0 0 0 0
51139 1 1 0 0 0
53142 1 0 0 0 0
46135 1 0 0 0 0
46136 1 0 0 0 0
47137 1 1 0 0 0
45133 1 0 0 0 0
45134 1 0 0 0 0
64153 1 6 0 0 0
65154 1 0 0 0 0
65155 1 0 0 0 0
66156 1 0 0 0 0
66157 1 0 0 0 0
42129 1 1 0 0 0
40126 1 0 0 0 0
41127 1 0 0 0 0
41128 1 0 0 0 0
71164 1 0 0 0 0
71165 1 0 0 0 0
72166 1 6 0 0 0
38125 1 1 0 0 0
32113 1 0 0 0 0
32114 1 0 0 0 0
33115 1 0 0 0 0
33116 1 0 0 0 0
37123 1 0 0 0 0
37124 1 0 0 0 0
61149 1 0 0 0 0
61150 1 0 0 0 0
61151 1 0 0 0 0
68158 1 0 0 0 0
68159 1 0 0 0 0
68160 1 0 0 0 0
35117 1 0 0 0 0
35118 1 0 0 0 0
35119 1 0 0 0 0
70161 1 0 0 0 0
70162 1 0 0 0 0
70163 1 0 0 0 0
44130 1 0 0 0 0
44131 1 0 0 0 0
44132 1 0 0 0 0
36120 1 0 0 0 0
36121 1 0 0 0 0
36122 1 0 0 0 0
81175 1 0 0 0 0
87181 1 0 0 0 0
83177 1 0 0 0 0
82176 1 1 0 0 0
2 91 1 1 0 0 0
1 88 1 0 0 0 0
1 89 1 0 0 0 0
1 90 1 0 0 0 0
4 92 1 6 0 0 0
86180 1 6 0 0 0
84178 1 1 0 0 0
85179 1 0 0 0 0
79173 1 0 0 0 0
7 94 1 1 0 0 0
78172 1 6 0 0 0
80174 1 1 0 0 0
6 93 1 6 0 0 0
77170 1 0 0 0 0
77171 1 0 0 0 0
11 97 1 0 0 0 0
10 96 1 1 0 0 0
27112 1 6 0 0 0
13 99 1 0 0 0 0
13100 1 0 0 0 0
12 98 1 6 0 0 0
74168 1 1 0 0 0
75169 1 0 0 0 0
9 95 1 6 0 0 0
21107 1 0 0 0 0
20106 1 6 0 0 0
15101 1 1 0 0 0
18103 1 0 0 0 0
18104 1 0 0 0 0
17102 1 1 0 0 0
24110 1 6 0 0 0
25111 1 0 0 0 0
22108 1 1 0 0 0
23109 1 0 0 0 0
19105 1 0 0 0 0
73167 1 0 0 0 0
M END
> <DATABASE_ID>
NP0025794
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@]1([H])O[C@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(OC(=O)[C@]34C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]3([H])C3=C([H])C([H])([H])[C@]5([H])[C@@]6(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@](C([H])=O)(C([H])([H])[H])[C@@]6([H])C([H])([H])C([H])([H])[C@@]5(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C59H94O28/c1-23-34(65)39(70)43(74)49(80-23)86-47-35(66)26(63)20-78-52(47)85-46-38(69)29(21-79-48-42(73)40(71)36(67)27(18-60)81-48)83-51(45(46)76)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(84-50-44(75)41(72)37(68)28(19-61)82-50)56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64/h8,22-23,25-52,60-61,63-76H,9-21H2,1-7H3/t23-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+,40-,41+,42+,43+,44-,45+,46-,47+,48+,49-,50+,51-,52-,55+,56+,57-,58-,59-/m1/s1
> <INCHI_KEY>
IKSFJDJNWYKIOE-IQRWLMHXSA-N
> <FORMULA>
C59H94O28
> <MOLECULAR_WEIGHT>
1251.373
> <EXACT_MASS>
1250.593162387
> <JCHEM_ACCEPTOR_COUNT>
27
> <JCHEM_ATOM_COUNT>
181
> <JCHEM_AVERAGE_POLARIZABILITY>
128.6410949947693
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R,3S,4R,5S,6S)-4-{[(2R,3S,4R,5R)-4,5-dihydroxy-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aR,5R,6aS,6bR,8aS,9S,10S,12aR,12bR,14bR)-9-formyl-5-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
> <ALOGPS_LOGP>
0.44
> <JCHEM_LOGP>
-3.2770670543333345
> <ALOGPS_LOGS>
-2.49
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.079354463664206
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.669874296391342
> <JCHEM_PKA_STRONGEST_BASIC>
-3.6765067029822633
> <JCHEM_POLAR_SURFACE_AREA>
450.1200000000001
> <JCHEM_REFRACTIVITY>
290.50999999999993
> <JCHEM_ROTATABLE_BOND_COUNT>
15
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
4.05e+00 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5S,6S)-4-{[(2R,3S,4R,5R)-4,5-dihydroxy-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aR,5R,6aS,6bR,8aS,9S,10S,12aR,12bR,14bR)-9-formyl-5-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)
RDKit 3D
181190 0 0 0 0 0 0 0 0999 V2000
2.5466 6.4294 -1.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1748 7.4313 -2.3920 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4149 6.8238 -3.6807 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6855 7.4290 -4.7619 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4545 7.3378 -5.9617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 6.4191 -6.9241 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2502 4.9542 -6.5617 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1788 4.4519 -5.7568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4769 3.2037 -5.0954 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1690 2.3912 -5.0426 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1938 1.9808 -6.3675 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3335 1.1655 -4.1295 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9725 0.3564 -3.9988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1247 1.1474 -3.6851 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1404 1.6166 -2.3317 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7883 3.0042 -2.3427 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 3.5644 -1.0300 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2462 5.0116 -1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0878 5.6229 0.1197 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 3.4921 -0.3380 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0418 3.9282 1.0267 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6034 2.0478 -0.3429 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9513 1.9940 0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5520 1.4297 -1.7413 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8955 0.0382 -1.6292 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7663 1.5549 -2.8212 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0341 2.2064 -2.8341 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3482 2.6026 -1.4887 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0220 1.6822 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 0.5829 -1.1609 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3483 2.2593 0.6496 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4553 3.3299 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6563 3.1872 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3031 1.7865 1.2884 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2405 1.6386 2.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1605 1.6531 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2400 0.6525 1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8149 1.1550 1.6429 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7269 0.0877 1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9652 -1.2301 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9933 -2.3405 1.9899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7323 -1.8900 2.7570 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2959 -3.0683 3.0460 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6757 -3.8901 1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4004 -4.0829 4.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5823 -4.8854 4.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4778 -4.0238 5.7603 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7761 -4.6523 5.8361 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8692 -5.6720 6.8421 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0747 -6.8068 6.5100 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1533 -7.8372 7.5037 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1828 -8.9671 7.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0647 -9.9321 8.1734 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5959 -8.3597 7.6111 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7123 -9.3664 8.6230 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 2.547 6.429 -1.307 0.00 0.00 C+0 HETATM 2 C UNK 0 2.175 7.431 -2.392 0.00 0.00 C+0 HETATM 3 O UNK 0 2.415 6.824 -3.681 0.00 0.00 O+0 HETATM 4 C UNK 0 1.686 7.429 -4.762 0.00 0.00 C+0 HETATM 5 O UNK 0 2.454 7.338 -5.962 0.00 0.00 O+0 HETATM 6 C UNK 0 1.898 6.419 -6.924 0.00 0.00 C+0 HETATM 7 C UNK 0 2.250 4.954 -6.562 0.00 0.00 C+0 HETATM 8 O UNK 0 1.179 4.452 -5.757 0.00 0.00 O+0 HETATM 9 C UNK 0 1.477 3.204 -5.095 0.00 0.00 C+0 HETATM 10 C UNK 0 0.169 2.391 -5.043 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.194 1.981 -6.367 0.00 0.00 O+0 HETATM 12 C UNK 0 0.334 1.165 -4.130 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.973 0.356 -3.999 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.125 1.147 -3.685 0.00 0.00 O+0 HETATM 15 C UNK 0 -2.140 1.617 -2.332 0.00 0.00 C+0 HETATM 16 O UNK 0 -1.788 3.004 -2.343 0.00 0.00 O+0 HETATM 17 C UNK 0 -1.730 3.564 -1.030 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.246 5.012 -1.158 0.00 0.00 C+0 HETATM 19 O UNK 0 -1.088 5.623 0.120 0.00 0.00 O+0 HETATM 20 C UNK 0 -3.099 3.492 -0.338 0.00 0.00 C+0 HETATM 21 O UNK 0 -3.042 3.928 1.027 0.00 0.00 O+0 HETATM 22 C UNK 0 -3.603 2.048 -0.343 0.00 0.00 C+0 HETATM 23 O UNK 0 -4.951 1.994 0.154 0.00 0.00 O+0 HETATM 24 C UNK 0 -3.552 1.430 -1.741 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.896 0.038 -1.629 0.00 0.00 O+0 HETATM 26 O UNK 0 0.766 1.555 -2.821 0.00 0.00 O+0 HETATM 27 C UNK 0 2.034 2.206 -2.834 0.00 0.00 C+0 HETATM 28 O UNK 0 2.348 2.603 -1.489 0.00 0.00 O+0 HETATM 29 C UNK 0 3.022 1.682 -0.744 0.00 0.00 C+0 HETATM 30 O UNK 0 3.357 0.583 -1.161 0.00 0.00 O+0 HETATM 31 C UNK 0 3.348 2.259 0.650 0.00 0.00 C+0 HETATM 32 C UNK 0 4.455 3.330 0.421 0.00 0.00 C+0 HETATM 33 C UNK 0 5.656 3.187 1.350 0.00 0.00 C+0 HETATM 34 C UNK 0 6.303 1.787 1.288 0.00 0.00 C+0 HETATM 35 C UNK 0 7.240 1.639 2.504 0.00 0.00 C+0 HETATM 36 C UNK 0 7.160 1.653 0.014 0.00 0.00 C+0 HETATM 37 C UNK 0 5.240 0.653 1.309 0.00 0.00 C+0 HETATM 38 C UNK 0 3.815 1.155 1.643 0.00 0.00 C+0 HETATM 39 C UNK 0 2.727 0.088 1.871 0.00 0.00 C+0 HETATM 40 C UNK 0 2.965 -1.230 1.720 0.00 0.00 C+0 HETATM 41 C UNK 0 1.993 -2.341 1.990 0.00 0.00 C+0 HETATM 42 C UNK 0 0.732 -1.890 2.757 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.296 -3.068 3.046 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.676 -3.890 1.781 0.00 0.00 C+0 HETATM 45 C UNK 0 0.400 -4.083 4.013 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.582 -4.885 4.854 0.00 0.00 C+0 HETATM 47 C UNK 0 -1.478 -4.024 5.760 0.00 0.00 C+0 HETATM 48 O UNK 0 -2.776 -4.652 5.836 0.00 0.00 O+0 HETATM 49 C UNK 0 -2.869 -5.672 6.842 0.00 0.00 C+0 HETATM 50 O UNK 0 -2.075 -6.807 6.510 0.00 0.00 O+0 HETATM 51 C UNK 0 -2.153 -7.837 7.504 0.00 0.00 C+0 HETATM 52 C UNK 0 -1.183 -8.967 7.133 0.00 0.00 C+0 HETATM 53 O UNK 0 -1.065 -9.932 8.173 0.00 0.00 O+0 HETATM 54 C UNK 0 -3.596 -8.360 7.611 0.00 0.00 C+0 HETATM 55 O UNK 0 -3.712 -9.366 8.623 0.00 0.00 O+0 HETATM 56 C UNK 0 -4.536 -7.197 7.933 0.00 0.00 C+0 HETATM 57 O UNK 0 -5.890 -7.674 7.922 0.00 0.00 O+0 HETATM 58 C UNK 0 -4.356 -6.071 6.918 0.00 0.00 C+0 HETATM 59 O UNK 0 -5.183 -4.962 7.305 0.00 0.00 O+0 HETATM 60 C UNK 0 -1.654 -2.550 5.251 0.00 0.00 C+0 HETATM 61 C UNK 0 -2.976 -1.967 5.805 0.00 0.00 C+0 HETATM 62 C UNK 0 -0.571 -1.673 5.880 0.00 0.00 C+0 HETATM 63 O UNK 0 0.369 -2.084 6.553 0.00 0.00 O+0 HETATM 64 C UNK 0 -1.635 -2.540 3.680 0.00 0.00 C+0 HETATM 65 C UNK 0 -2.140 -1.265 2.970 0.00 0.00 C+0 HETATM 66 C UNK 0 -1.120 -0.141 2.864 0.00 0.00 C+0 HETATM 67 C UNK 0 0.192 -0.546 2.147 0.00 0.00 C+0 HETATM 68 C UNK 0 -0.137 -0.727 0.634 0.00 0.00 C+0 HETATM 69 C UNK 0 1.343 0.611 2.323 0.00 0.00 C+0 HETATM 70 C UNK 0 1.485 1.044 3.815 0.00 0.00 C+0 HETATM 71 C UNK 0 0.955 1.883 1.494 0.00 0.00 C+0 HETATM 72 C UNK 0 2.068 2.911 1.239 0.00 0.00 C+0 HETATM 73 O UNK 0 2.368 3.627 2.439 0.00 0.00 O+0 HETATM 74 C UNK 0 1.972 3.495 -3.672 0.00 0.00 C+0 HETATM 75 O UNK 0 3.265 4.117 -3.700 0.00 0.00 O+0 HETATM 76 O UNK 0 2.474 4.127 -7.707 0.00 0.00 O+0 HETATM 77 C UNK 0 1.574 4.409 -8.767 0.00 0.00 C+0 HETATM 78 C UNK 0 1.857 5.792 -9.363 0.00 0.00 C+0 HETATM 79 O UNK 0 0.644 6.359 -9.888 0.00 0.00 O+0 HETATM 80 C UNK 0 2.441 6.758 -8.313 0.00 0.00 C+0 HETATM 81 O UNK 0 2.090 8.113 -8.659 0.00 0.00 O+0 HETATM 82 C UNK 0 1.392 8.926 -4.534 0.00 0.00 C+0 HETATM 83 O UNK 0 0.705 9.515 -5.650 0.00 0.00 O+0 HETATM 84 C UNK 0 0.556 9.112 -3.259 0.00 0.00 C+0 HETATM 85 O UNK 0 -0.842 9.232 -3.567 0.00 0.00 O+0 HETATM 86 C UNK 0 0.725 7.927 -2.295 0.00 0.00 C+0 HETATM 87 O UNK 0 0.320 8.282 -0.974 0.00 0.00 O+0 HETATM 88 H UNK 0 3.575 6.080 -1.449 0.00 0.00 H+0 HETATM 89 H UNK 0 1.908 5.544 -1.347 0.00 0.00 H+0 HETATM 90 H UNK 0 2.467 6.869 -0.309 0.00 0.00 H+0 HETATM 91 H UNK 0 2.865 8.279 -2.289 0.00 0.00 H+0 HETATM 92 H UNK 0 0.734 6.894 -4.868 0.00 0.00 H+0 HETATM 93 H UNK 0 0.810 6.572 -6.948 0.00 0.00 H+0 HETATM 94 H UNK 0 3.179 4.946 -5.985 0.00 0.00 H+0 HETATM 95 H UNK 0 2.233 2.654 -5.670 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.624 3.056 -4.681 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.161 1.857 -6.361 0.00 0.00 H+0 HETATM 98 H UNK 0 1.086 0.484 -4.549 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.188 -0.130 -4.957 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.867 -0.441 -3.253 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.425 1.051 -1.724 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.992 3.020 -0.431 0.00 0.00 H+0 HETATM 103 H UNK 0 -0.285 5.023 -1.676 0.00 0.00 H+0 HETATM 104 H UNK 0 -1.946 5.609 -1.753 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.621 6.473 -0.036 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.828 4.130 -0.853 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.476 4.733 1.040 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.014 1.440 0.355 0.00 0.00 H+0 HETATM 109 H UNK 0 -4.945 2.548 0.961 0.00 0.00 H+0 HETATM 110 H UNK 0 -4.303 1.890 -2.394 0.00 0.00 H+0 HETATM 111 H UNK 0 -4.747 0.028 -1.149 0.00 0.00 H+0 HETATM 112 H UNK 0 2.810 1.541 -3.236 0.00 0.00 H+0 HETATM 113 H UNK 0 4.820 3.298 -0.614 0.00 0.00 H+0 HETATM 114 H UNK 0 4.043 4.340 0.540 0.00 0.00 H+0 HETATM 115 H UNK 0 6.397 3.958 1.100 0.00 0.00 H+0 HETATM 116 H UNK 0 5.333 3.412 2.375 0.00 0.00 H+0 HETATM 117 H UNK 0 6.679 1.692 3.444 0.00 0.00 H+0 HETATM 118 H UNK 0 7.768 0.678 2.485 0.00 0.00 H+0 HETATM 119 H UNK 0 7.996 2.432 2.520 0.00 0.00 H+0 HETATM 120 H UNK 0 6.551 1.737 -0.892 0.00 0.00 H+0 HETATM 121 H UNK 0 7.668 0.682 -0.019 0.00 0.00 H+0 HETATM 122 H UNK 0 7.931 2.431 -0.029 0.00 0.00 H+0 HETATM 123 H UNK 0 5.538 -0.104 2.047 0.00 0.00 H+0 HETATM 124 H UNK 0 5.234 0.127 0.347 0.00 0.00 H+0 HETATM 125 H UNK 0 3.940 1.623 2.629 0.00 0.00 H+0 HETATM 126 H UNK 0 3.935 -1.578 1.373 0.00 0.00 H+0 HETATM 127 H UNK 0 1.737 -2.786 1.024 0.00 0.00 H+0 HETATM 128 H UNK 0 2.518 -3.110 2.567 0.00 0.00 H+0 HETATM 129 H UNK 0 1.092 -1.621 3.756 0.00 0.00 H+0 HETATM 130 H UNK 0 -1.333 -3.351 1.100 0.00 0.00 H+0 HETATM 131 H UNK 0 -1.231 -4.795 2.056 0.00 0.00 H+0 HETATM 132 H UNK 0 0.200 -4.231 1.223 0.00 0.00 H+0 HETATM 133 H UNK 0 1.024 -4.782 3.440 0.00 0.00 H+0 HETATM 134 H UNK 0 1.097 -3.575 4.688 0.00 0.00 H+0 HETATM 135 H UNK 0 -0.013 -5.583 5.480 0.00 0.00 H+0 HETATM 136 H UNK 0 -1.197 -5.518 4.202 0.00 0.00 H+0 HETATM 137 H UNK 0 -1.051 -4.005 6.771 0.00 0.00 H+0 HETATM 138 H UNK 0 -2.548 -5.243 7.801 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.836 -7.434 8.475 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.503 -9.474 6.216 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.186 -8.559 6.935 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.971 -10.107 8.507 0.00 0.00 H+0 HETATM 143 H UNK 0 -3.904 -8.821 6.664 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.678 -9.482 8.753 0.00 0.00 H+0 HETATM 145 H UNK 0 -4.359 -6.832 8.953 0.00 0.00 H+0 HETATM 146 H UNK 0 -6.445 -6.868 7.954 0.00 0.00 H+0 HETATM 147 H UNK 0 -4.716 -6.396 5.934 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.953 -4.245 6.680 0.00 0.00 H+0 HETATM 149 H UNK 0 -3.851 -2.412 5.317 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.061 -2.147 6.883 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.036 -0.881 5.670 0.00 0.00 H+0 HETATM 152 H UNK 0 -0.680 -0.588 5.728 0.00 0.00 H+0 HETATM 153 H UNK 0 -2.411 -3.281 3.425 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.045 -0.881 3.452 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.469 -1.533 1.959 0.00 0.00 H+0 HETATM 156 H UNK 0 -0.928 0.225 3.870 0.00 0.00 H+0 HETATM 157 H UNK 0 -1.587 0.703 2.340 0.00 0.00 H+0 HETATM 158 H UNK 0 -0.688 -1.637 0.419 0.00 0.00 H+0 HETATM 159 H UNK 0 -0.776 0.082 0.268 0.00 0.00 H+0 HETATM 160 H UNK 0 0.760 -0.748 0.007 0.00 0.00 H+0 HETATM 161 H UNK 0 1.625 0.196 4.490 0.00 0.00 H+0 HETATM 162 H UNK 0 0.611 1.607 4.158 0.00 0.00 H+0 HETATM 163 H UNK 0 2.342 1.699 3.991 0.00 0.00 H+0 HETATM 164 H UNK 0 0.604 1.592 0.502 0.00 0.00 H+0 HETATM 165 H UNK 0 0.110 2.385 1.982 0.00 0.00 H+0 HETATM 166 H UNK 0 1.675 3.667 0.547 0.00 0.00 H+0 HETATM 167 H UNK 0 1.552 4.072 2.730 0.00 0.00 H+0 HETATM 168 H UNK 0 1.288 4.205 -3.192 0.00 0.00 H+0 HETATM 169 H UNK 0 3.112 5.083 -3.775 0.00 0.00 H+0 HETATM 170 H UNK 0 0.538 4.317 -8.418 0.00 0.00 H+0 HETATM 171 H UNK 0 1.705 3.646 -9.541 0.00 0.00 H+0 HETATM 172 H UNK 0 2.563 5.719 -10.199 0.00 0.00 H+0 HETATM 173 H UNK 0 0.336 5.770 -10.603 0.00 0.00 H+0 HETATM 174 H UNK 0 3.535 6.700 -8.300 0.00 0.00 H+0 HETATM 175 H UNK 0 1.289 8.029 -9.220 0.00 0.00 H+0 HETATM 176 H UNK 0 2.345 9.457 -4.419 0.00 0.00 H+0 HETATM 177 H UNK 0 1.258 9.307 -6.436 0.00 0.00 H+0 HETATM 178 H UNK 0 0.834 10.054 -2.773 0.00 0.00 H+0 HETATM 179 H UNK 0 -0.865 9.664 -4.450 0.00 0.00 H+0 HETATM 180 H UNK 0 0.046 7.125 -2.608 0.00 0.00 H+0 HETATM 181 H UNK 0 -0.481 8.837 -1.085 0.00 0.00 H+0 CONECT 1 2 88 89 90 CONECT 2 86 3 1 91 CONECT 3 2 4 CONECT 4 3 82 5 92 CONECT 5 4 6 CONECT 6 7 80 5 93 CONECT 7 6 76 8 94 CONECT 8 9 7 CONECT 9 10 74 8 95 CONECT 10 9 12 11 96 CONECT 11 10 97 CONECT 12 26 10 13 98 CONECT 13 14 12 99 100 CONECT 14 13 15 CONECT 15 24 16 14 101 CONECT 16 15 17 CONECT 17 16 20 18 102 CONECT 18 19 17 103 104 CONECT 19 18 105 CONECT 20 22 17 21 106 CONECT 21 20 107 CONECT 22 20 24 23 108 CONECT 23 22 109 CONECT 24 22 15 25 110 CONECT 25 24 111 CONECT 26 27 12 CONECT 27 74 26 28 112 CONECT 28 29 27 CONECT 29 28 31 30 CONECT 30 29 CONECT 31 72 38 32 29 CONECT 32 31 33 113 114 CONECT 33 32 34 115 116 CONECT 34 36 33 37 35 CONECT 35 34 117 118 119 CONECT 36 34 120 121 122 CONECT 37 38 34 123 124 CONECT 38 39 31 37 125 CONECT 39 40 69 38 CONECT 40 39 41 126 CONECT 41 42 40 127 128 CONECT 42 67 41 43 129 CONECT 43 44 45 64 42 CONECT 44 43 130 131 132 CONECT 45 46 43 133 134 CONECT 46 47 45 135 136 CONECT 47 46 60 48 137 CONECT 48 49 47 CONECT 49 48 58 50 138 CONECT 50 51 49 CONECT 51 50 54 52 139 CONECT 52 53 51 140 141 CONECT 53 52 142 CONECT 54 51 56 55 143 CONECT 55 54 144 CONECT 56 58 54 57 145 CONECT 57 56 146 CONECT 58 59 56 49 147 CONECT 59 58 148 CONECT 60 47 64 61 62 CONECT 61 60 149 150 151 CONECT 62 63 152 60 CONECT 63 62 CONECT 64 60 43 65 153 CONECT 65 66 64 154 155 CONECT 66 65 67 156 157 CONECT 67 66 42 69 68 CONECT 68 67 158 159 160 CONECT 69 67 39 71 70 CONECT 70 69 161 162 163 CONECT 71 69 72 164 165 CONECT 72 71 31 73 166 CONECT 73 72 167 CONECT 74 9 27 75 168 CONECT 75 74 169 CONECT 76 77 7 CONECT 77 78 76 170 171 CONECT 78 80 77 79 172 CONECT 79 78 173 CONECT 80 6 78 81 174 CONECT 81 80 175 CONECT 82 84 4 83 176 CONECT 83 82 177 CONECT 84 82 86 85 178 CONECT 85 84 179 CONECT 86 84 2 87 180 CONECT 87 86 181 CONECT 88 1 CONECT 89 1 CONECT 90 1 CONECT 91 2 CONECT 92 4 CONECT 93 6 CONECT 94 7 CONECT 95 9 CONECT 96 10 CONECT 97 11 CONECT 98 12 CONECT 99 13 CONECT 100 13 CONECT 101 15 CONECT 102 17 CONECT 103 18 CONECT 104 18 CONECT 105 19 CONECT 106 20 CONECT 107 21 CONECT 108 22 CONECT 109 23 CONECT 110 24 CONECT 111 25 CONECT 112 27 CONECT 113 32 CONECT 114 32 CONECT 115 33 CONECT 116 33 CONECT 117 35 CONECT 118 35 CONECT 119 35 CONECT 120 36 CONECT 121 36 CONECT 122 36 CONECT 123 37 CONECT 124 37 CONECT 125 38 CONECT 126 40 CONECT 127 41 CONECT 128 41 CONECT 129 42 CONECT 130 44 CONECT 131 44 CONECT 132 44 CONECT 133 45 CONECT 134 45 CONECT 135 46 CONECT 136 46 CONECT 137 47 CONECT 138 49 CONECT 139 51 CONECT 140 52 CONECT 141 52 CONECT 142 53 CONECT 143 54 CONECT 144 55 CONECT 145 56 CONECT 146 57 CONECT 147 58 CONECT 148 59 CONECT 149 61 CONECT 150 61 CONECT 151 61 CONECT 152 62 CONECT 153 64 CONECT 154 65 CONECT 155 65 CONECT 156 66 CONECT 157 66 CONECT 158 68 CONECT 159 68 CONECT 160 68 CONECT 161 70 CONECT 162 70 CONECT 163 70 CONECT 164 71 CONECT 165 71 CONECT 166 72 CONECT 167 73 CONECT 168 74 CONECT 169 75 CONECT 170 77 CONECT 171 77 CONECT 172 78 CONECT 173 79 CONECT 174 80 CONECT 175 81 CONECT 176 82 CONECT 177 83 CONECT 178 84 CONECT 179 85 CONECT 180 86 CONECT 181 87 MASTER 0 0 0 0 0 0 0 0 181 0 380 0 END 3D PDB for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)SMILES for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)[H]OC([H])([H])[C@]1([H])O[C@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(OC(=O)[C@]34C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]3([H])C3=C([H])C([H])([H])[C@]5([H])[C@@]6(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@](C([H])=O)(C([H])([H])[H])[C@@]6([H])C([H])([H])C([H])([H])[C@@]5(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] INCHI for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)InChI=1S/C59H94O28/c1-23-34(65)39(70)43(74)49(80-23)86-47-35(66)26(63)20-78-52(47)85-46-38(69)29(21-79-48-42(73)40(71)36(67)27(18-60)81-48)83-51(45(46)76)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(84-50-44(75)41(72)37(68)28(19-61)82-50)56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64/h8,22-23,25-52,60-61,63-76H,9-21H2,1-7H3/t23-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+,40-,41+,42+,43+,44-,45+,46-,47+,48+,49-,50+,51-,52-,55+,56+,57-,58-,59-/m1/s1 Structure for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+)
3D Structure for NP0025794 (3-O-beta-D-glucuronopyranosyl-quillaic acid-28-O-alpha-L-rhamnopyranosyl-+) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C59H94O28 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1251.3730 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1250.59316 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R,3S,4R,5S,6S)-4-{[(2R,3S,4R,5R)-4,5-dihydroxy-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aR,5R,6aS,6bR,8aS,9S,10S,12aR,12bR,14bR)-9-formyl-5-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R,3S,4R,5S,6S)-4-{[(2R,3S,4R,5R)-4,5-dihydroxy-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aR,5R,6aS,6bR,8aS,9S,10S,12aR,12bR,14bR)-9-formyl-5-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]OC([H])([H])[C@]1([H])O[C@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(OC(=O)[C@]34C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]3([H])C3=C([H])C([H])([H])[C@]5([H])[C@@]6(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@](C([H])=O)(C([H])([H])[H])[C@@]6([H])C([H])([H])C([H])([H])[C@@]5(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C59H94O28/c1-23-34(65)39(70)43(74)49(80-23)86-47-35(66)26(63)20-78-52(47)85-46-38(69)29(21-79-48-42(73)40(71)36(67)27(18-60)81-48)83-51(45(46)76)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(84-50-44(75)41(72)37(68)28(19-61)82-50)56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64/h8,22-23,25-52,60-61,63-76H,9-21H2,1-7H3/t23-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+,40-,41+,42+,43+,44-,45+,46-,47+,48+,49-,50+,51-,52-,55+,56+,57-,58-,59-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | IKSFJDJNWYKIOE-IQRWLMHXSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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