Mrv0541 02241220592D 53 60 0 0 1 0 999 V2000 -3.2257 -1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1014 -2.5721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3685 -2.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 -3.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -4.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 -2.8265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0996 -2.1372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2760 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0943 -2.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -3.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 -4.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8349 -4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 -3.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 -2.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3712 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -2.3290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5651 -3.0662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1118 -3.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 -3.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -3.8514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5826 -3.8994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9529 -4.6366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4996 -5.3259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6760 -5.2779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3057 -4.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 -5.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8699 -6.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 -6.7524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7868 -7.4896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3335 -8.1789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5099 -8.1310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1396 -7.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5929 -6.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 -6.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 -8.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 -8.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 -7.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7765 -4.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 -3.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 -1.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 -2.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 -3.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 -3.1521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2110 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0251 -3.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3163 -2.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7934 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9793 -2.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 18 20 1 6 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 25 27 1 1 0 0 0 27 28 1 0 0 0 0 24 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 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 35 1 0 0 0 0 30 35 1 0 0 0 0 34 36 1 1 0 0 0 36 37 1 0 0 0 0 33 38 1 6 0 0 0 32 39 1 1 0 0 0 31 40 1 6 0 0 0 23 41 1 1 0 0 0 22 42 1 6 0 0 0 17 43 1 1 0 0 0 15 44 1 6 0 0 0 8 45 1 1 0 0 0 7 46 1 6 0 0 0 4 47 1 0 0 0 0 48 47 1 1 0 0 0 2 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 48 53 1 0 0 0 0 M END > CHEM025496 > chemdb > C[C@H]1C2C(CC3C4CCC5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4C[C@H](O)[C@]23C)O[C@]11CCCCO1 > InChI=1S/C38H62O15/c1-16-27-23(53-38(16)8-4-5-9-48-38)11-20-18-7-6-17-10-22(21(41)13-36(17,2)19(18)12-26(42)37(20,27)3)49-34-32(47)30(45)33(25(15-40)51-34)52-35-31(46)29(44)28(43)24(14-39)50-35/h16-35,39-47H,4-15H2,1-3H3/t16-,17?,18?,19?,20?,21+,22+,23?,24+,25+,26-,27?,28+,29-,30+,31+,32+,33-,34+,35-,36-,37+,38+/m0/s1 > MTZLHTRAIKFJLJ-PYUCPRTRSA-N > C38H62O15 > 758.8899 > 758.408871314 > 15 > 81.11152093390956 > 0 > 9 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,7'S,9'S,10'S,13'S,15'R,16'R)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',15'-dioloxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.51 > -0.8794738563333354 > -2.88 > 1 > 8 > 0 > 12.479667059387108 > 11.937172647178622 > -2.9810835652988272 > 237.44999999999996 > 182.64790000000008 > 6 > 0 > 1.00e+00 g/l > (2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,7'S,9'S,10'S,13'S,15'R,16'R)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',15'-dioloxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Bioside $$$$