Showing NP-Card for (25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+ (NP0032079)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-19 22:58:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-30 00:01:03 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0032079 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | (25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | (25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+ is found in Tribulus alatus. It was first documented in 2006 (Temraz, A., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)Mrv1652306202100583D 182191 0 0 0 0 999 V2000 -3.4751 -4.0046 4.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 -2.7237 4.5746 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6661 -3.0329 5.2602 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6732 -1.8795 5.3948 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2021 -1.2334 4.1049 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1527 -0.2348 4.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 -0.5707 3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5561 -0.4510 2.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4309 -0.9402 1.1275 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9351 -2.2627 0.5186 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2867 -2.6527 -0.8263 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7698 -2.8299 -0.6508 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0563 -3.1225 -1.9631 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3994 -2.0340 -2.9796 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5035 -2.1059 -4.2138 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7454 -0.8539 -5.0664 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8252 -0.7868 -6.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 -0.2469 -5.7221 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6951 1.1264 -5.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 1.6373 -4.6848 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6352 3.1102 -5.0926 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6390 3.7768 -4.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 0.7487 -4.8602 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9173 1.3891 -4.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 0.9914 -2.9980 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0237 1.0256 -2.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 0.5253 -0.8991 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8366 0.4693 -0.2202 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9379 -0.0649 1.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 1.4036 -0.1161 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4883 0.7908 1.1536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 1.5955 -0.9143 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3675 2.6503 -0.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 2.4611 0.9565 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9117 3.1596 1.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 2.9975 3.1965 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1232 3.6442 4.0012 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8794 3.0335 3.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6062 3.6466 3.4804 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0002 3.4760 4.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6830 3.0561 2.5612 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8837 3.8330 2.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2426 3.0316 1.0900 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1577 2.2029 0.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 1.9521 -2.3994 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4802 1.8551 -3.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 3.1337 -3.3760 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4868 3.7643 -4.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1612 3.5871 -5.7676 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0595 2.1399 -6.2789 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6899 1.7479 -6.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5952 4.1550 -5.7231 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4906 3.4487 -6.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 4.1415 -4.3034 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 4.0441 -4.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 2.9783 -3.4901 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2462 2.9724 -2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 0.2682 -6.3259 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1756 1.3603 -7.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.3943 -6.8011 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7445 -1.7925 -7.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1925 -0.8577 -5.5555 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1654 -0.8460 -4.3634 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9219 -1.9846 -3.3208 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4234 -3.3104 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 -1.6679 -1.9697 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2000 -1.5734 -2.0809 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8443 -1.1588 -0.7507 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4670 -2.0766 0.4455 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1993 -3.4188 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7755 -1.3560 1.7898 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8174 -2.1933 3.0785 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2152 -2.6780 3.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5469 -1.6015 5.2860 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2885 -1.3753 4.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 -0.4117 5.3583 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0393 0.8982 5.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 1.6193 4.0198 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2070 1.0489 2.7182 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5807 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0 0 0 0 51139 1 0 0 0 0 M END 3D MOL for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)RDKit 3D 182191 0 0 0 0 0 0 0 0999 V2000 -3.4751 -4.0046 4.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 -2.7237 4.5746 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6661 -3.0329 5.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6732 -1.8795 5.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2021 -1.2334 4.1049 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1527 -0.2348 4.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 -0.5707 3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5561 -0.4510 2.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4309 -0.9402 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9351 -2.2627 0.5186 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2867 -2.6527 -0.8263 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7698 -2.8299 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0563 -3.1225 -1.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 -2.0340 -2.9796 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5035 -2.1059 -4.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 -0.8539 -5.0664 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8252 -0.7868 -6.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 -0.2469 -5.7221 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6951 1.1264 -5.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 1.6373 -4.6848 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6352 3.1102 -5.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 3.7768 -4.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 0.7487 -4.8602 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9173 1.3891 -4.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 0.9914 -2.9980 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0237 1.0256 -2.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 0.5253 -0.8991 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8366 0.4693 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 -0.0649 1.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 1.4036 -0.1161 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4883 0.7908 1.1536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 1.5955 -0.9143 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3675 2.6503 -0.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 2.4611 0.9565 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9117 3.1596 1.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 2.9975 3.1965 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1232 3.6442 4.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8794 3.0335 3.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6062 3.6466 3.4804 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0002 3.4760 4.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6830 3.0561 2.5612 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8837 3.8330 2.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2426 3.0316 1.0900 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1577 2.2029 0.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 1.9521 -2.3994 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4802 1.8551 -3.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 3.1337 -3.3760 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4868 3.7643 -4.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1612 3.5871 -5.7676 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0595 2.1399 -6.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 1.7479 -6.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5952 4.1550 -5.7231 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4906 3.4487 -6.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 4.1415 -4.3034 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 4.0441 -4.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 2.9783 -3.4901 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2462 2.9724 -2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 0.2682 -6.3259 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1756 1.3603 -7.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.3943 -6.8011 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7445 -1.7925 -7.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1925 -0.8577 -5.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1654 -0.8460 -4.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9219 -1.9846 -3.3208 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4234 -3.3104 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 -1.6679 -1.9697 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2000 -1.5734 -2.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8443 -1.1588 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -2.0766 0.4455 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1993 -3.4188 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7755 -1.3560 1.7898 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8174 -2.1933 3.0785 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2152 -2.6780 3.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5469 -1.6015 5.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2885 -1.3753 4.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 -0.4117 5.3583 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0393 0.8982 5.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 1.6193 4.0198 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2070 1.0489 2.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5807 -0.1639 2.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 1.7812 3.9663 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2574 3.1357 4.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 0.8337 4.9337 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0220 0.6513 4.5542 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 -0.5372 4.9467 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6961 -1.3951 5.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -3.8423 3.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 -4.8067 4.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 -4.3540 5.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4937 -2.4294 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 -3.8700 4.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 -3.4014 6.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2267 -1.0997 6.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5301 -2.2481 5.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6878 0.3557 5.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 0.6021 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2469 -0.1832 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4896 -1.0851 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7053 -3.0626 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6843 -3.6404 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 -1.9237 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 -3.6419 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -4.1179 -2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 -3.1385 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1475 -1.0783 -2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 -2.1692 -3.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 -3.0145 -4.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 0.0428 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -0.8282 -4.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1941 1.6425 -3.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 3.6466 -4.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 3.2152 -6.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 3.3269 -4.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5882 -0.1768 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 -0.0306 -3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 -0.5025 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 -0.1597 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 1.4684 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 -0.2010 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 2.3897 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 0.4204 1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1254 0.6736 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8414 1.3907 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 1.9254 3.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 3.5064 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 4.7131 3.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 2.9426 2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5489 4.7279 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1287 2.5253 5.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9454 2.0418 2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0153 3.9611 3.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 4.0419 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0235 2.4296 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8561 2.9743 -2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 3.7866 -2.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 4.1987 -6.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 2.0518 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5801 1.4234 -5.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 1.8254 -5.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5896 5.1982 -6.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2778 3.7145 -7.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9428 5.0807 -3.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8194 3.6374 -5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8973 2.0203 -3.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1879 3.1928 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 -0.4443 -6.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 1.5403 -7.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 0.0543 -7.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -2.1368 -7.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3707 0.0225 -6.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -1.7250 -6.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0699 0.1265 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1904 -0.8910 -4.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 -4.1481 -3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4655 -3.2247 -4.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -3.5966 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -0.6685 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6227 -2.5285 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4796 -0.8322 -2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5531 -0.1209 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 -1.1392 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9803 -3.9059 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2842 -3.2767 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -4.1298 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6866 -0.7498 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1653 -3.0637 2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5999 -3.3865 2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 -3.1897 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9306 -1.8515 3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -0.6693 5.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3748 -1.8839 6.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 -0.6411 6.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.6124 4.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 0.8563 2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 1.7719 1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 -0.8650 2.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 1.6645 2.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 3.2534 4.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 1.2539 5.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 1.5441 4.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -1.0222 3.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6392 -1.2488 5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 4 3 1 0 18 60 1 0 60 58 1 0 58 23 1 0 25 45 1 0 47 56 1 0 56 54 1 0 54 52 1 0 52 49 1 0 49 48 1 0 48 47 1 0 52 53 1 0 54 55 1 0 56 57 1 0 62 16 1 0 45 32 1 0 32 30 1 0 30 27 1 0 27 26 1 0 62 63 1 0 16 15 1 0 15 14 1 0 64 63 1 0 64 14 1 0 26 25 1 0 30 31 1 0 32 33 1 0 64 66 1 0 14 13 1 0 13 12 1 0 12 11 1 0 66 11 1 0 45 46 1 0 23 20 1 0 28 29 1 0 66 67 1 0 11 10 1 0 69 68 1 0 68 67 1 0 69 10 1 0 20 19 1 0 19 18 1 0 10 9 1 0 9 8 1 0 71 69 1 0 71 8 1 0 23 24 1 0 58 59 1 0 60 61 1 0 8 7 1 0 7 5 1 0 5 72 1 0 72 71 1 0 3 2 1 0 64 65 1 6 21 22 1 0 69 70 1 6 2 74 1 0 14105 1 1 34 43 1 0 72 73 1 0 43 41 1 0 5 6 1 1 16 17 1 0 41 39 1 0 39 36 1 0 36 35 1 0 35 34 1 0 39 40 1 0 41 42 1 0 43 44 1 0 76 85 1 0 85 83 1 0 83 81 1 0 81 78 1 0 78 77 1 0 77 76 1 0 81 82 1 0 83 84 1 0 85 86 1 0 74 75 1 0 79 80 1 0 37 38 1 0 49 50 1 0 2 1 1 0 50 51 1 0 18 17 1 0 20 21 1 0 27 28 1 0 25 24 1 0 36 37 1 0 34 33 1 0 47 46 1 0 78 79 1 0 76 75 1 0 1 87 1 0 1 88 1 0 1 89 1 0 76172 1 1 2 90 1 6 3 91 1 0 3 92 1 0 4 93 1 0 4 94 1 0 74170 1 0 74171 1 0 18109 1 1 23114 1 1 58146 1 1 59147 1 0 60148 1 6 61149 1 0 21111 1 0 21112 1 0 20110 1 1 22113 1 0 25115 1 6 30120 1 1 31121 1 0 32122 1 6 45134 1 1 28117 1 0 28118 1 0 27116 1 6 29119 1 0 34123 1 1 39128 1 6 40129 1 0 41130 1 1 42131 1 0 43132 1 6 44133 1 0 37125 1 0 37126 1 0 36124 1 1 38127 1 0 47135 1 1 52140 1 6 53141 1 0 54142 1 1 55143 1 0 56144 1 6 57145 1 0 49136 1 6 62150 1 0 62151 1 0 16108 1 1 15106 1 0 15107 1 0 63152 1 0 63153 1 0 13103 1 0 13104 1 0 12101 1 0 12102 1 0 66157 1 1 11100 1 6 68160 1 0 68161 1 0 67158 1 0 67159 1 0 10 99 1 1 9 97 1 0 9 98 1 0 71165 1 6 8 96 1 6 72166 1 6 65154 1 0 65155 1 0 65156 1 0 70162 1 0 70163 1 0 70164 1 0 73167 1 0 73168 1 0 73169 1 0 6 95 1 0 81177 1 6 82178 1 0 83179 1 1 84180 1 0 85181 1 6 86182 1 0 79174 1 0 79175 1 0 78173 1 1 80176 1 0 50137 1 0 50138 1 0 51139 1 0 M END 3D SDF for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)Mrv1652306202100583D 182191 0 0 0 0 999 V2000 -3.4751 -4.0046 4.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 -2.7237 4.5746 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6661 -3.0329 5.2602 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6732 -1.8795 5.3948 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2021 -1.2334 4.1049 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1527 -0.2348 4.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 -0.5707 3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5561 -0.4510 2.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4309 -0.9402 1.1275 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9351 -2.2627 0.5186 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2867 -2.6527 -0.8263 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7698 -2.8299 -0.6508 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0563 -3.1225 -1.9631 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3994 -2.0340 -2.9796 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5035 -2.1059 -4.2138 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7454 -0.8539 -5.0664 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8252 -0.7868 -6.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 -0.2469 -5.7221 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6951 1.1264 -5.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 1.6373 -4.6848 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6352 3.1102 -5.0926 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6390 3.7768 -4.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 0.7487 -4.8602 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9173 1.3891 -4.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 0.9914 -2.9980 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0237 1.0256 -2.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 0.5253 -0.8991 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8366 0.4693 -0.2202 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9379 -0.0649 1.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 1.4036 -0.1161 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4883 0.7908 1.1536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 1.5955 -0.9143 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3675 2.6503 -0.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 2.4611 0.9565 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9117 3.1596 1.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 2.9975 3.1965 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1232 3.6442 4.0012 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8794 3.0335 3.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6062 3.6466 3.4804 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0002 3.4760 4.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6830 3.0561 2.5612 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8837 3.8330 2.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2426 3.0316 1.0900 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1577 2.2029 0.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 1.9521 -2.3994 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4802 1.8551 -3.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 3.1337 -3.3760 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4868 3.7643 -4.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1612 3.5871 -5.7676 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0595 2.1399 -6.2789 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6899 1.7479 -6.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5952 4.1550 -5.7231 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4906 3.4487 -6.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 4.1415 -4.3034 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 4.0441 -4.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 2.9783 -3.4901 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2462 2.9724 -2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 0.2682 -6.3259 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1756 1.3603 -7.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.3943 -6.8011 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7445 -1.7925 -7.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1925 -0.8577 -5.5555 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1654 -0.8460 -4.3634 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9219 -1.9846 -3.3208 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4234 -3.3104 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 -1.6679 -1.9697 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2000 -1.5734 -2.0809 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8443 -1.1588 -0.7507 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4670 -2.0766 0.4455 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1993 -3.4188 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7755 -1.3560 1.7898 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8174 -2.1933 3.0785 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2152 -2.6780 3.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5469 -1.6015 5.2860 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2885 -1.3753 4.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 -0.4117 5.3583 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0393 0.8982 5.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 1.6193 4.0198 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2070 1.0489 2.7182 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5807 -0.1639 2.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 1.7812 3.9663 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2574 3.1357 4.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 0.8337 4.9337 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0220 0.6513 4.5542 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 -0.5372 4.9467 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6961 -1.3951 5.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -3.8423 3.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 -4.8067 4.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 -4.3540 5.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4937 -2.4294 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 -3.8700 4.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 -3.4014 6.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2267 -1.0997 6.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5301 -2.2481 5.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6878 0.3557 5.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 0.6021 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2469 -0.1832 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4896 -1.0851 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7053 -3.0626 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6843 -3.6404 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 -1.9237 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 -3.6419 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -4.1179 -2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 -3.1385 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1475 -1.0783 -2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 -2.1692 -3.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 -3.0145 -4.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 0.0428 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -0.8282 -4.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1941 1.6425 -3.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 3.6466 -4.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 3.2152 -6.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 3.3269 -4.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5882 -0.1768 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 -0.0306 -3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 -0.5025 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 -0.1597 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 1.4684 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 -0.2010 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 2.3897 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 0.4204 1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1254 0.6736 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8414 1.3907 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 1.9254 3.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 3.5064 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 4.7131 3.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 2.9426 2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5489 4.7279 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1287 2.5253 5.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9454 2.0418 2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0153 3.9611 3.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 4.0419 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0235 2.4296 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8561 2.9743 -2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 3.7866 -2.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 4.1987 -6.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 2.0518 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5801 1.4234 -5.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 1.8254 -5.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5896 5.1982 -6.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2778 3.7145 -7.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9428 5.0807 -3.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8194 3.6374 -5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8973 2.0203 -3.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1879 3.1928 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 -0.4443 -6.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 1.5403 -7.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 0.0543 -7.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -2.1368 -7.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3707 0.0225 -6.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -1.7250 -6.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0699 0.1265 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1904 -0.8910 -4.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 -4.1481 -3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4655 -3.2247 -4.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -3.5966 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -0.6685 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6227 -2.5285 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4796 -0.8322 -2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5531 -0.1209 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 -1.1392 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9803 -3.9059 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2842 -3.2767 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -4.1298 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6866 -0.7498 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1653 -3.0637 2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5999 -3.3865 2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 -3.1897 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9306 -1.8515 3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -0.6693 5.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3748 -1.8839 6.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 -0.6411 6.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.6124 4.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 0.8563 2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 1.7719 1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 -0.8650 2.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 1.6645 2.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 3.2534 4.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 1.2539 5.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 1.5441 4.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -1.0222 3.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6392 -1.2488 5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 18 60 1 0 0 0 0 60 58 1 0 0 0 0 58 23 1 0 0 0 0 25 45 1 0 0 0 0 47 56 1 0 0 0 0 56 54 1 0 0 0 0 54 52 1 0 0 0 0 52 49 1 0 0 0 0 49 48 1 0 0 0 0 48 47 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 62 16 1 0 0 0 0 45 32 1 0 0 0 0 32 30 1 0 0 0 0 30 27 1 0 0 0 0 27 26 1 0 0 0 0 62 63 1 0 0 0 0 16 15 1 0 0 0 0 15 14 1 0 0 0 0 64 63 1 0 0 0 0 64 14 1 0 0 0 0 26 25 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 64 66 1 0 0 0 0 14 13 1 0 0 0 0 13 12 1 0 0 0 0 12 11 1 0 0 0 0 66 11 1 0 0 0 0 45 46 1 0 0 0 0 23 20 1 0 0 0 0 28 29 1 0 0 0 0 66 67 1 0 0 0 0 11 10 1 0 0 0 0 69 68 1 0 0 0 0 68 67 1 0 0 0 0 69 10 1 0 0 0 0 20 19 1 0 0 0 0 19 18 1 0 0 0 0 10 9 1 0 0 0 0 9 8 1 0 0 0 0 71 69 1 0 0 0 0 71 8 1 0 0 0 0 23 24 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 8 7 1 0 0 0 0 7 5 1 0 0 0 0 5 72 1 0 0 0 0 72 71 1 0 0 0 0 3 2 1 0 0 0 0 64 65 1 6 0 0 0 21 22 1 0 0 0 0 69 70 1 6 0 0 0 2 74 1 0 0 0 0 14105 1 1 0 0 0 34 43 1 0 0 0 0 72 73 1 0 0 0 0 43 41 1 0 0 0 0 5 6 1 1 0 0 0 16 17 1 0 0 0 0 41 39 1 0 0 0 0 39 36 1 0 0 0 0 36 35 1 0 0 0 0 35 34 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 76 85 1 0 0 0 0 85 83 1 0 0 0 0 83 81 1 0 0 0 0 81 78 1 0 0 0 0 78 77 1 0 0 0 0 77 76 1 0 0 0 0 81 82 1 0 0 0 0 83 84 1 0 0 0 0 85 86 1 0 0 0 0 74 75 1 0 0 0 0 79 80 1 0 0 0 0 37 38 1 0 0 0 0 49 50 1 0 0 0 0 2 1 1 0 0 0 0 50 51 1 0 0 0 0 18 17 1 0 0 0 0 20 21 1 0 0 0 0 27 28 1 0 0 0 0 25 24 1 0 0 0 0 36 37 1 0 0 0 0 34 33 1 0 0 0 0 47 46 1 0 0 0 0 78 79 1 0 0 0 0 76 75 1 0 0 0 0 1 87 1 0 0 0 0 1 88 1 0 0 0 0 1 89 1 0 0 0 0 76172 1 1 0 0 0 2 90 1 6 0 0 0 3 91 1 0 0 0 0 3 92 1 0 0 0 0 4 93 1 0 0 0 0 4 94 1 0 0 0 0 74170 1 0 0 0 0 74171 1 0 0 0 0 18109 1 1 0 0 0 23114 1 1 0 0 0 58146 1 1 0 0 0 59147 1 0 0 0 0 60148 1 6 0 0 0 61149 1 0 0 0 0 21111 1 0 0 0 0 21112 1 0 0 0 0 20110 1 1 0 0 0 22113 1 0 0 0 0 25115 1 6 0 0 0 30120 1 1 0 0 0 31121 1 0 0 0 0 32122 1 6 0 0 0 45134 1 1 0 0 0 28117 1 0 0 0 0 28118 1 0 0 0 0 27116 1 6 0 0 0 29119 1 0 0 0 0 34123 1 1 0 0 0 39128 1 6 0 0 0 40129 1 0 0 0 0 41130 1 1 0 0 0 42131 1 0 0 0 0 43132 1 6 0 0 0 44133 1 0 0 0 0 37125 1 0 0 0 0 37126 1 0 0 0 0 36124 1 1 0 0 0 38127 1 0 0 0 0 47135 1 1 0 0 0 52140 1 6 0 0 0 53141 1 0 0 0 0 54142 1 1 0 0 0 55143 1 0 0 0 0 56144 1 6 0 0 0 57145 1 0 0 0 0 49136 1 6 0 0 0 62150 1 0 0 0 0 62151 1 0 0 0 0 16108 1 1 0 0 0 15106 1 0 0 0 0 15107 1 0 0 0 0 63152 1 0 0 0 0 63153 1 0 0 0 0 13103 1 0 0 0 0 13104 1 0 0 0 0 12101 1 0 0 0 0 12102 1 0 0 0 0 66157 1 1 0 0 0 11100 1 6 0 0 0 68160 1 0 0 0 0 68161 1 0 0 0 0 67158 1 0 0 0 0 67159 1 0 0 0 0 10 99 1 1 0 0 0 9 97 1 0 0 0 0 9 98 1 0 0 0 0 71165 1 6 0 0 0 8 96 1 6 0 0 0 72166 1 6 0 0 0 65154 1 0 0 0 0 65155 1 0 0 0 0 65156 1 0 0 0 0 70162 1 0 0 0 0 70163 1 0 0 0 0 70164 1 0 0 0 0 73167 1 0 0 0 0 73168 1 0 0 0 0 73169 1 0 0 0 0 6 95 1 0 0 0 0 81177 1 6 0 0 0 82178 1 0 0 0 0 83179 1 1 0 0 0 84180 1 0 0 0 0 85181 1 6 0 0 0 86182 1 0 0 0 0 79174 1 0 0 0 0 79175 1 0 0 0 0 78173 1 1 0 0 0 80176 1 0 0 0 0 50137 1 0 0 0 0 50138 1 0 0 0 0 51139 1 0 0 0 0 M END > <DATABASE_ID> NP0032079 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2(O[H])O[C@@]3([H])C([H])([H])[C@]4([H])[C@]5([H])C([H])([H])C([H])([H])[C@@]6([H])C([H])([H])[C@@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[C@]8([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])O[H])[C@@]8([H])O[C@]8([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@]([H])(O[H])[C@@]7([H])O[H])C([H])([H])C([H])([H])[C@]6(C([H])([H])[H])[C@@]5([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])[C@]2([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] > <INCHI_IDENTIFIER> InChI=1S/C57H96O29/c1-21(20-76-50-43(71)39(67)35(63)29(15-58)78-50)7-12-57(75)22(2)34-28(86-57)14-27-25-6-5-23-13-24(8-10-55(23,3)26(25)9-11-56(27,34)4)77-51-46(74)42(70)47(33(19-62)82-51)83-54-49(85-53-45(73)41(69)37(65)31(17-60)80-53)48(38(66)32(18-61)81-54)84-52-44(72)40(68)36(64)30(16-59)79-52/h21-54,58-75H,5-20H2,1-4H3/t21-,22-,23-,24-,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-,53-,54-,55-,56-,57+/m0/s1 > <INCHI_KEY> XDAAGZSUPZBJED-KBPJGTAFSA-N > <FORMULA> C57H96O29 > <MOLECULAR_WEIGHT> 1245.366 > <EXACT_MASS> 1244.603727071 > <JCHEM_ACCEPTOR_COUNT> 29 > <JCHEM_ATOM_COUNT> 182 > <JCHEM_AVERAGE_POLARIZABILITY> 130.52173465125185 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 18 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-{[(1R,2R,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > <ALOGPS_LOGP> -1.26 > <JCHEM_LOGP> -4.682996865333333 > <ALOGPS_LOGS> -2.53 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 10 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.892971895866426 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.463190841624177 > <JCHEM_PKA_STRONGEST_BASIC> -3.6786216354192804 > <JCHEM_POLAR_SURFACE_AREA> 465.67000000000013 > <JCHEM_REFRACTIVITY> 284.9925 > <JCHEM_ROTATABLE_BOND_COUNT> 19 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 3.65e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-{[(1R,2R,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)RDKit 3D 182191 0 0 0 0 0 0 0 0999 V2000 -3.4751 -4.0046 4.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 -2.7237 4.5746 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6661 -3.0329 5.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6732 -1.8795 5.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2021 -1.2334 4.1049 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1527 -0.2348 4.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 -0.5707 3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5561 -0.4510 2.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4309 -0.9402 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9351 -2.2627 0.5186 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2867 -2.6527 -0.8263 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7698 -2.8299 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0563 -3.1225 -1.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 -2.0340 -2.9796 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5035 -2.1059 -4.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 -0.8539 -5.0664 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8252 -0.7868 -6.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 -0.2469 -5.7221 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6951 1.1264 -5.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 1.6373 -4.6848 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6352 3.1102 -5.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 3.7768 -4.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 0.7487 -4.8602 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9173 1.3891 -4.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 0.9914 -2.9980 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0237 1.0256 -2.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 0.5253 -0.8991 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8366 0.4693 -0.2202 C 0 0 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1 0 12102 1 0 66157 1 1 11100 1 6 68160 1 0 68161 1 0 67158 1 0 67159 1 0 10 99 1 1 9 97 1 0 9 98 1 0 71165 1 6 8 96 1 6 72166 1 6 65154 1 0 65155 1 0 65156 1 0 70162 1 0 70163 1 0 70164 1 0 73167 1 0 73168 1 0 73169 1 0 6 95 1 0 81177 1 6 82178 1 0 83179 1 1 84180 1 0 85181 1 6 86182 1 0 79174 1 0 79175 1 0 78173 1 1 80176 1 0 50137 1 0 50138 1 0 51139 1 0 M END PDB for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -3.475 -4.005 4.512 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.319 -2.724 4.575 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.666 -3.033 5.260 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.673 -1.880 5.395 0.00 0.00 C+0 HETATM 5 C UNK 0 -7.202 -1.233 4.105 0.00 0.00 C+0 HETATM 6 O UNK 0 -8.153 -0.235 4.461 0.00 0.00 O+0 HETATM 7 O UNK 0 -6.156 -0.571 3.405 0.00 0.00 O+0 HETATM 8 C UNK 0 -6.556 -0.451 2.036 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.431 -0.940 1.127 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.935 -2.263 0.519 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.287 -2.653 -0.826 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.770 -2.830 -0.651 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.056 -3.123 -1.963 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.399 -2.034 -2.980 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.503 -2.106 -4.214 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.745 -0.854 -5.066 0.00 0.00 C+0 HETATM 17 O UNK 0 -1.825 -0.787 -6.165 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.568 -0.247 -5.722 0.00 0.00 C+0 HETATM 19 O UNK 0 -0.695 1.126 -5.377 0.00 0.00 O+0 HETATM 20 C UNK 0 0.457 1.637 -4.685 0.00 0.00 C+0 HETATM 21 C UNK 0 0.635 3.110 -5.093 0.00 0.00 C+0 HETATM 22 O UNK 0 1.639 3.777 -4.335 0.00 0.00 O+0 HETATM 23 C UNK 0 1.726 0.749 -4.860 0.00 0.00 C+0 HETATM 24 O UNK 0 2.917 1.389 -4.362 0.00 0.00 O+0 HETATM 25 C UNK 0 3.211 0.991 -2.998 0.00 0.00 C+0 HETATM 26 O UNK 0 2.024 1.026 -2.215 0.00 0.00 O+0 HETATM 27 C UNK 0 2.216 0.525 -0.899 0.00 0.00 C+0 HETATM 28 C UNK 0 0.837 0.469 -0.220 0.00 0.00 C+0 HETATM 29 O UNK 0 0.938 -0.065 1.095 0.00 0.00 O+0 HETATM 30 C UNK 0 3.210 1.404 -0.116 0.00 0.00 C+0 HETATM 31 O UNK 0 3.488 0.791 1.154 0.00 0.00 O+0 HETATM 32 C UNK 0 4.529 1.595 -0.914 0.00 0.00 C+0 HETATM 33 O UNK 0 5.367 2.650 -0.389 0.00 0.00 O+0 HETATM 34 C UNK 0 5.813 2.461 0.957 0.00 0.00 C+0 HETATM 35 O UNK 0 4.912 3.160 1.814 0.00 0.00 O+0 HETATM 36 C UNK 0 5.254 2.998 3.196 0.00 0.00 C+0 HETATM 37 C UNK 0 4.123 3.644 4.001 0.00 0.00 C+0 HETATM 38 O UNK 0 2.879 3.034 3.614 0.00 0.00 O+0 HETATM 39 C UNK 0 6.606 3.647 3.480 0.00 0.00 C+0 HETATM 40 O UNK 0 7.000 3.476 4.847 0.00 0.00 O+0 HETATM 41 C UNK 0 7.683 3.056 2.561 0.00 0.00 C+0 HETATM 42 O UNK 0 8.884 3.833 2.713 0.00 0.00 O+0 HETATM 43 C UNK 0 7.243 3.032 1.090 0.00 0.00 C+0 HETATM 44 O UNK 0 8.158 2.203 0.354 0.00 0.00 O+0 HETATM 45 C UNK 0 4.255 1.952 -2.399 0.00 0.00 C+0 HETATM 46 O UNK 0 5.480 1.855 -3.163 0.00 0.00 O+0 HETATM 47 C UNK 0 6.091 3.134 -3.376 0.00 0.00 C+0 HETATM 48 O UNK 0 5.487 3.764 -4.512 0.00 0.00 O+0 HETATM 49 C UNK 0 6.161 3.587 -5.768 0.00 0.00 C+0 HETATM 50 C UNK 0 6.059 2.140 -6.279 0.00 0.00 C+0 HETATM 51 O UNK 0 4.690 1.748 -6.337 0.00 0.00 O+0 HETATM 52 C UNK 0 7.595 4.155 -5.723 0.00 0.00 C+0 HETATM 53 O UNK 0 8.491 3.449 -6.595 0.00 0.00 O+0 HETATM 54 C UNK 0 8.179 4.141 -4.303 0.00 0.00 C+0 HETATM 55 O UNK 0 9.613 4.044 -4.342 0.00 0.00 O+0 HETATM 56 C UNK 0 7.623 2.978 -3.490 0.00 0.00 C+0 HETATM 57 O UNK 0 8.246 2.972 -2.193 0.00 0.00 O+0 HETATM 58 C UNK 0 1.847 0.268 -6.326 0.00 0.00 C+0 HETATM 59 O UNK 0 2.176 1.360 -7.193 0.00 0.00 O+0 HETATM 60 C UNK 0 0.524 -0.394 -6.801 0.00 0.00 C+0 HETATM 61 O UNK 0 0.745 -1.793 -7.056 0.00 0.00 O+0 HETATM 62 C UNK 0 -4.192 -0.858 -5.556 0.00 0.00 C+0 HETATM 63 C UNK 0 -5.165 -0.846 -4.363 0.00 0.00 C+0 HETATM 64 C UNK 0 -4.922 -1.985 -3.321 0.00 0.00 C+0 HETATM 65 C UNK 0 -5.423 -3.310 -3.941 0.00 0.00 C+0 HETATM 66 C UNK 0 -5.666 -1.668 -1.970 0.00 0.00 C+0 HETATM 67 C UNK 0 -7.200 -1.573 -2.081 0.00 0.00 C+0 HETATM 68 C UNK 0 -7.844 -1.159 -0.751 0.00 0.00 C+0 HETATM 69 C UNK 0 -7.467 -2.077 0.446 0.00 0.00 C+0 HETATM 70 C UNK 0 -8.199 -3.419 0.299 0.00 0.00 C+0 HETATM 71 C UNK 0 -7.776 -1.356 1.790 0.00 0.00 C+0 HETATM 72 C UNK 0 -7.817 -2.193 3.079 0.00 0.00 C+0 HETATM 73 C UNK 0 -9.215 -2.678 3.450 0.00 0.00 C+0 HETATM 74 C UNK 0 -3.547 -1.601 5.286 0.00 0.00 C+0 HETATM 75 O UNK 0 -2.289 -1.375 4.636 0.00 0.00 O+0 HETATM 76 C UNK 0 -1.501 -0.412 5.358 0.00 0.00 C+0 HETATM 77 O UNK 0 -2.039 0.898 5.183 0.00 0.00 O+0 HETATM 78 C UNK 0 -1.611 1.619 4.020 0.00 0.00 C+0 HETATM 79 C UNK 0 -2.207 1.049 2.718 0.00 0.00 C+0 HETATM 80 O UNK 0 -1.581 -0.164 2.294 0.00 0.00 O+0 HETATM 81 C UNK 0 -0.078 1.781 3.966 0.00 0.00 C+0 HETATM 82 O UNK 0 0.257 3.136 4.327 0.00 0.00 O+0 HETATM 83 C UNK 0 0.643 0.834 4.934 0.00 0.00 C+0 HETATM 84 O UNK 0 2.022 0.651 4.554 0.00 0.00 O+0 HETATM 85 C UNK 0 -0.019 -0.537 4.947 0.00 0.00 C+0 HETATM 86 O UNK 0 0.696 -1.395 5.858 0.00 0.00 O+0 HETATM 87 H UNK 0 -2.548 -3.842 3.953 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.025 -4.807 4.007 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.210 -4.354 5.516 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.494 -2.429 3.537 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.151 -3.870 4.744 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.459 -3.401 6.274 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.227 -1.100 6.025 0.00 0.00 H+0 HETATM 94 H UNK 0 -7.530 -2.248 5.974 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.688 0.356 5.077 0.00 0.00 H+0 HETATM 96 H UNK 0 -6.784 0.602 1.838 0.00 0.00 H+0 HETATM 97 H UNK 0 -5.247 -0.183 0.360 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.490 -1.085 1.666 0.00 0.00 H+0 HETATM 99 H UNK 0 -5.705 -3.063 1.237 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.684 -3.640 -1.095 0.00 0.00 H+0 HETATM 101 H UNK 0 -3.329 -1.924 -0.218 0.00 0.00 H+0 HETATM 102 H UNK 0 -3.570 -3.642 0.059 0.00 0.00 H+0 HETATM 103 H UNK 0 -3.321 -4.118 -2.335 0.00 0.00 H+0 HETATM 104 H UNK 0 -1.976 -3.139 -1.776 0.00 0.00 H+0 HETATM 105 H UNK 0 -3.147 -1.078 -2.491 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.458 -2.169 -3.895 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.677 -3.014 -4.802 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.622 0.043 -4.444 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.272 -0.828 -4.845 0.00 0.00 H+0 HETATM 110 H UNK 0 0.194 1.643 -3.622 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.307 3.647 -4.934 0.00 0.00 H+0 HETATM 112 H UNK 0 0.862 3.215 -6.157 0.00 0.00 H+0 HETATM 113 H UNK 0 2.479 3.327 -4.550 0.00 0.00 H+0 HETATM 114 H UNK 0 1.588 -0.177 -4.284 0.00 0.00 H+0 HETATM 115 H UNK 0 3.609 -0.031 -3.047 0.00 0.00 H+0 HETATM 116 H UNK 0 2.602 -0.502 -0.945 0.00 0.00 H+0 HETATM 117 H UNK 0 0.158 -0.160 -0.807 0.00 0.00 H+0 HETATM 118 H UNK 0 0.390 1.468 -0.163 0.00 0.00 H+0 HETATM 119 H UNK 0 0.013 -0.201 1.411 0.00 0.00 H+0 HETATM 120 H UNK 0 2.773 2.390 0.083 0.00 0.00 H+0 HETATM 121 H UNK 0 2.642 0.420 1.497 0.00 0.00 H+0 HETATM 122 H UNK 0 5.125 0.674 -0.876 0.00 0.00 H+0 HETATM 123 H UNK 0 5.841 1.391 1.198 0.00 0.00 H+0 HETATM 124 H UNK 0 5.268 1.925 3.435 0.00 0.00 H+0 HETATM 125 H UNK 0 4.253 3.506 5.078 0.00 0.00 H+0 HETATM 126 H UNK 0 4.037 4.713 3.781 0.00 0.00 H+0 HETATM 127 H UNK 0 2.966 2.943 2.635 0.00 0.00 H+0 HETATM 128 H UNK 0 6.549 4.728 3.303 0.00 0.00 H+0 HETATM 129 H UNK 0 7.129 2.525 5.019 0.00 0.00 H+0 HETATM 130 H UNK 0 7.945 2.042 2.887 0.00 0.00 H+0 HETATM 131 H UNK 0 9.015 3.961 3.671 0.00 0.00 H+0 HETATM 132 H UNK 0 7.303 4.042 0.667 0.00 0.00 H+0 HETATM 133 H UNK 0 8.024 2.430 -0.595 0.00 0.00 H+0 HETATM 134 H UNK 0 3.856 2.974 -2.464 0.00 0.00 H+0 HETATM 135 H UNK 0 5.889 3.787 -2.519 0.00 0.00 H+0 HETATM 136 H UNK 0 5.590 4.199 -6.478 0.00 0.00 H+0 HETATM 137 H UNK 0 6.465 2.052 -7.291 0.00 0.00 H+0 HETATM 138 H UNK 0 6.580 1.423 -5.640 0.00 0.00 H+0 HETATM 139 H UNK 0 4.362 1.825 -5.412 0.00 0.00 H+0 HETATM 140 H UNK 0 7.590 5.198 -6.063 0.00 0.00 H+0 HETATM 141 H UNK 0 8.278 3.715 -7.510 0.00 0.00 H+0 HETATM 142 H UNK 0 7.943 5.081 -3.788 0.00 0.00 H+0 HETATM 143 H UNK 0 9.819 3.637 -5.211 0.00 0.00 H+0 HETATM 144 H UNK 0 7.897 2.020 -3.945 0.00 0.00 H+0 HETATM 145 H UNK 0 9.188 3.193 -2.369 0.00 0.00 H+0 HETATM 146 H UNK 0 2.677 -0.444 -6.406 0.00 0.00 H+0 HETATM 147 H UNK 0 3.134 1.540 -7.058 0.00 0.00 H+0 HETATM 148 H UNK 0 0.189 0.054 -7.744 0.00 0.00 H+0 HETATM 149 H UNK 0 -0.121 -2.137 -7.354 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.371 0.023 -6.185 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.375 -1.725 -6.201 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.070 0.127 -3.862 0.00 0.00 H+0 HETATM 153 H UNK 0 -6.190 -0.891 -4.750 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.375 -4.148 -3.241 0.00 0.00 H+0 HETATM 155 H UNK 0 -6.465 -3.225 -4.268 0.00 0.00 H+0 HETATM 156 H UNK 0 -4.843 -3.597 -4.823 0.00 0.00 H+0 HETATM 157 H UNK 0 -5.319 -0.669 -1.675 0.00 0.00 H+0 HETATM 158 H UNK 0 -7.623 -2.529 -2.409 0.00 0.00 H+0 HETATM 159 H UNK 0 -7.480 -0.832 -2.837 0.00 0.00 H+0 HETATM 160 H UNK 0 -7.553 -0.121 -0.545 0.00 0.00 H+0 HETATM 161 H UNK 0 -8.935 -1.139 -0.872 0.00 0.00 H+0 HETATM 162 H UNK 0 -7.980 -3.906 -0.656 0.00 0.00 H+0 HETATM 163 H UNK 0 -9.284 -3.277 0.350 0.00 0.00 H+0 HETATM 164 H UNK 0 -7.913 -4.130 1.081 0.00 0.00 H+0 HETATM 165 H UNK 0 -8.687 -0.750 1.705 0.00 0.00 H+0 HETATM 166 H UNK 0 -7.165 -3.064 2.960 0.00 0.00 H+0 HETATM 167 H UNK 0 -9.600 -3.386 2.712 0.00 0.00 H+0 HETATM 168 H UNK 0 -9.203 -3.190 4.418 0.00 0.00 H+0 HETATM 169 H UNK 0 -9.931 -1.851 3.514 0.00 0.00 H+0 HETATM 170 H UNK 0 -4.120 -0.669 5.264 0.00 0.00 H+0 HETATM 171 H UNK 0 -3.375 -1.884 6.332 0.00 0.00 H+0 HETATM 172 H UNK 0 -1.574 -0.641 6.429 0.00 0.00 H+0 HETATM 173 H UNK 0 -2.063 2.612 4.137 0.00 0.00 H+0 HETATM 174 H UNK 0 -3.279 0.856 2.834 0.00 0.00 H+0 HETATM 175 H UNK 0 -2.076 1.772 1.907 0.00 0.00 H+0 HETATM 176 H UNK 0 -1.980 -0.865 2.861 0.00 0.00 H+0 HETATM 177 H UNK 0 0.291 1.665 2.943 0.00 0.00 H+0 HETATM 178 H UNK 0 1.218 3.253 4.162 0.00 0.00 H+0 HETATM 179 H UNK 0 0.671 1.254 5.947 0.00 0.00 H+0 HETATM 180 H UNK 0 2.393 1.544 4.388 0.00 0.00 H+0 HETATM 181 H UNK 0 0.084 -1.022 3.970 0.00 0.00 H+0 HETATM 182 H UNK 0 1.639 -1.249 5.639 0.00 0.00 H+0 CONECT 1 2 87 88 89 CONECT 2 3 74 1 90 CONECT 3 4 2 91 92 CONECT 4 5 3 93 94 CONECT 5 4 7 72 6 CONECT 6 5 95 CONECT 7 8 5 CONECT 8 9 71 7 96 CONECT 9 10 8 97 98 CONECT 10 11 69 9 99 CONECT 11 12 66 10 100 CONECT 12 13 11 101 102 CONECT 13 14 12 103 104 CONECT 14 15 64 13 105 CONECT 15 16 14 106 107 CONECT 16 62 15 17 108 CONECT 17 16 18 CONECT 18 60 19 17 109 CONECT 19 20 18 CONECT 20 23 19 21 110 CONECT 21 22 20 111 112 CONECT 22 21 113 CONECT 23 58 20 24 114 CONECT 24 23 25 CONECT 25 45 26 24 115 CONECT 26 27 25 CONECT 27 30 26 28 116 CONECT 28 29 27 117 118 CONECT 29 28 119 CONECT 30 32 27 31 120 CONECT 31 30 121 CONECT 32 45 30 33 122 CONECT 33 32 34 CONECT 34 43 35 33 123 CONECT 35 36 34 CONECT 36 39 35 37 124 CONECT 37 38 36 125 126 CONECT 38 37 127 CONECT 39 41 36 40 128 CONECT 40 39 129 CONECT 41 43 39 42 130 CONECT 42 41 131 CONECT 43 34 41 44 132 CONECT 44 43 133 CONECT 45 25 32 46 134 CONECT 46 45 47 CONECT 47 56 48 46 135 CONECT 48 49 47 CONECT 49 52 48 50 136 CONECT 50 49 51 137 138 CONECT 51 50 139 CONECT 52 54 49 53 140 CONECT 53 52 141 CONECT 54 56 52 55 142 CONECT 55 54 143 CONECT 56 47 54 57 144 CONECT 57 56 145 CONECT 58 60 23 59 146 CONECT 59 58 147 CONECT 60 18 58 61 148 CONECT 61 60 149 CONECT 62 16 63 150 151 CONECT 63 62 64 152 153 CONECT 64 63 14 66 65 CONECT 65 64 154 155 156 CONECT 66 64 11 67 157 CONECT 67 66 68 158 159 CONECT 68 69 67 160 161 CONECT 69 68 10 71 70 CONECT 70 69 162 163 164 CONECT 71 69 8 72 165 CONECT 72 5 71 73 166 CONECT 73 72 167 168 169 CONECT 74 2 75 170 171 CONECT 75 74 76 CONECT 76 85 77 75 172 CONECT 77 78 76 CONECT 78 81 77 79 173 CONECT 79 80 78 174 175 CONECT 80 79 176 CONECT 81 83 78 82 177 CONECT 82 81 178 CONECT 83 85 81 84 179 CONECT 84 83 180 CONECT 85 76 83 86 181 CONECT 86 85 182 CONECT 87 1 CONECT 88 1 CONECT 89 1 CONECT 90 2 CONECT 91 3 CONECT 92 3 CONECT 93 4 CONECT 94 4 CONECT 95 6 CONECT 96 8 CONECT 97 9 CONECT 98 9 CONECT 99 10 CONECT 100 11 CONECT 101 12 CONECT 102 12 CONECT 103 13 CONECT 104 13 CONECT 105 14 CONECT 106 15 CONECT 107 15 CONECT 108 16 CONECT 109 18 CONECT 110 20 CONECT 111 21 CONECT 112 21 CONECT 113 22 CONECT 114 23 CONECT 115 25 CONECT 116 27 CONECT 117 28 CONECT 118 28 CONECT 119 29 CONECT 120 30 CONECT 121 31 CONECT 122 32 CONECT 123 34 CONECT 124 36 CONECT 125 37 CONECT 126 37 CONECT 127 38 CONECT 128 39 CONECT 129 40 CONECT 130 41 CONECT 131 42 CONECT 132 43 CONECT 133 44 CONECT 134 45 CONECT 135 47 CONECT 136 49 CONECT 137 50 CONECT 138 50 CONECT 139 51 CONECT 140 52 CONECT 141 53 CONECT 142 54 CONECT 143 55 CONECT 144 56 CONECT 145 57 CONECT 146 58 CONECT 147 59 CONECT 148 60 CONECT 149 61 CONECT 150 62 CONECT 151 62 CONECT 152 63 CONECT 153 63 CONECT 154 65 CONECT 155 65 CONECT 156 65 CONECT 157 66 CONECT 158 67 CONECT 159 67 CONECT 160 68 CONECT 161 68 CONECT 162 70 CONECT 163 70 CONECT 164 70 CONECT 165 71 CONECT 166 72 CONECT 167 73 CONECT 168 73 CONECT 169 73 CONECT 170 74 CONECT 171 74 CONECT 172 76 CONECT 173 78 CONECT 174 79 CONECT 175 79 CONECT 176 80 CONECT 177 81 CONECT 178 82 CONECT 179 83 CONECT 180 84 CONECT 181 85 CONECT 182 86 MASTER 0 0 0 0 0 0 0 0 182 0 382 0 END 3D PDB for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)SMILES for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2(O[H])O[C@@]3([H])C([H])([H])[C@]4([H])[C@]5([H])C([H])([H])C([H])([H])[C@@]6([H])C([H])([H])[C@@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[C@]8([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])O[H])[C@@]8([H])O[C@]8([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@]([H])(O[H])[C@@]7([H])O[H])C([H])([H])C([H])([H])[C@]6(C([H])([H])[H])[C@@]5([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])[C@]2([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] INCHI for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)InChI=1S/C57H96O29/c1-21(20-76-50-43(71)39(67)35(63)29(15-58)78-50)7-12-57(75)22(2)34-28(86-57)14-27-25-6-5-23-13-24(8-10-55(23,3)26(25)9-11-56(27,34)4)77-51-46(74)42(70)47(33(19-62)82-51)83-54-49(85-53-45(73)41(69)37(65)31(17-60)80-53)48(38(66)32(18-61)81-54)84-52-44(72)40(68)36(64)30(16-59)79-52/h21-54,58-75H,5-20H2,1-4H3/t21-,22-,23-,24-,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-,53-,54-,55-,56-,57+/m0/s1 Structure for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+)3D Structure for NP0032079 ((25S)-26-O-beta-D-glucopyranosyl-5alpha-furostan-3beta,22alpha,26-triol-3+) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C57H96O29 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1245.3660 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1244.60373 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-{[(1R,2R,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-{[(1R,2R,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2(O[H])O[C@@]3([H])C([H])([H])[C@]4([H])[C@]5([H])C([H])([H])C([H])([H])[C@@]6([H])C([H])([H])[C@@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[C@]8([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])O[H])[C@@]8([H])O[C@]8([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@]([H])(O[H])[C@@]7([H])O[H])C([H])([H])C([H])([H])[C@]6(C([H])([H])[H])[C@@]5([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])[C@]2([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C57H96O29/c1-21(20-76-50-43(71)39(67)35(63)29(15-58)78-50)7-12-57(75)22(2)34-28(86-57)14-27-25-6-5-23-13-24(8-10-55(23,3)26(25)9-11-56(27,34)4)77-51-46(74)42(70)47(33(19-62)82-51)83-54-49(85-53-45(73)41(69)37(65)31(17-60)80-53)48(38(66)32(18-61)81-54)84-52-44(72)40(68)36(64)30(16-59)79-52/h21-54,58-75H,5-20H2,1-4H3/t21-,22-,23-,24-,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-,53-,54-,55-,56-,57+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | XDAAGZSUPZBJED-KBPJGTAFSA-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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