5327073 -OEChem-10051720393D 76 78 0 1 0 0 0 0 0999 V2000 3.9283 -0.3981 0.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.2671 -0.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3508 0.6855 -1.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -1.1152 -0.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -2.6301 -1.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -3.3583 -0.5302 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8409 -2.4230 0.6949 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2129 -0.8885 1.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 1.9377 1.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 2.6100 1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9731 3.3557 -1.6279 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6543 -0.4708 -0.2813 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7969 0.0554 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.9274 -0.3212 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6551 0.3956 0.4890 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0354 1.0532 -0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8868 0.1819 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -2.0328 -0.7673 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9877 -0.5528 -0.5893 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4117 0.2562 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -1.2305 0.0159 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1567 -1.0608 0.0072 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4349 0.9076 -1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2849 0.0376 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9516 -0.3063 0.9858 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.5150 1.0251 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 1.0564 0.3396 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9292 1.6236 -0.2887 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3153 -0.3004 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0347 1.8723 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9112 -0.1885 0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 -0.7221 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4406 -0.6202 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 2.9050 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 -0.0821 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8602 -0.9619 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -2.4076 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6039 0.0912 1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3052 0.9086 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9064 2.0797 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8059 1.1556 1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7455 -0.5844 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6464 -1.8543 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -1.1882 -1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2278 1.3169 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3559 -0.2692 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9105 -1.5149 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2073 -1.3661 1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5919 1.6748 -2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5201 -0.0653 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4194 -0.9860 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0368 0.1952 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3977 -0.2049 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9951 0.9612 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5236 2.0469 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4994 0.8487 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1945 1.8557 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3195 0.2278 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5216 -1.3557 -0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 2.0490 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 2.2444 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 -0.7359 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7053 0.8632 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8101 -0.1686 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 -1.7680 -0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2195 0.4246 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4273 -1.2134 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8881 2.7179 -1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 3.6903 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 -2.2924 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 -3.5373 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 -2.9836 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7236 -1.0013 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9957 2.0572 2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 3.5460 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 4.1693 -2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 22 1 0 0 0 0 4 33 1 0 0 0 0 5 14 1 0 0 0 0 5 70 1 0 0 0 0 6 18 1 0 0 0 0 6 71 1 0 0 0 0 7 21 1 0 0 0 0 7 72 1 0 0 0 0 8 25 1 0 0 0 0 8 73 1 0 0 0 0 9 27 1 0 0 0 0 9 74 1 0 0 0 0 10 30 1 0 0 0 0 10 75 1 0 0 0 0 11 34 1 0 0 0 0 11 76 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 30 1 0 0 0 0 15 38 1 0 0 0 0 16 23 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 24 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 29 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 34 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 M END > DB04664 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RVTGFZGNOSKUDA-ZNGNCRBCSA-N/SDF?record_type=3d > OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 > RVTGFZGNOSKUDA-ZNGNCRBCSA-N > C23H42O11 > 494.573 > 494.272712186 > 11 > 76 > -1.9006992299223602e-05 > 53.22349278541226 > 0 > 7 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-[(5-cyclohexylpentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.28 > -0.24564416166666675 > -2.00 > 1 > 0 > 3 > 0 > 12.486202997409404 > 11.93997597977382 > -2.9810835652988272 > 178.53 > 117.3139 > 11 > 0 > 4.92e+00 g/l > biotin > 0 $$$$