24848365 -OEChem-04182404142D 118124 0 1 0 0 0 0 0999 V2000 6.3301 -2.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 1.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 8.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 7.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8970 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.3970 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 2.3032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3550 0.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 1.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2273 3.3032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2551 0.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1431 1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3594 3.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 4.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2353 5.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1354 3.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1394 4.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4992 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 2.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 1.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2128 3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4953 3.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3854 5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2395 6.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 6.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2676 -0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2978 6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 5.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 6.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 7.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -3.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -4.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -5.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -6.8970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -6.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -7.3970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -7.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9945 -0.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7552 1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7648 0.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 4.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 3.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7466 3.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2028 0.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 0.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7498 4.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3507 5.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 -1.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 1.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8255 2.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 3.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -0.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 -1.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 1.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 0.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 2.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 3.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3181 3.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 3.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 5.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 4.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 6.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4508 7.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2724 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 -0.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2628 -0.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2398 -2.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0884 -2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3088 -1.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 7.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 7.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 5.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6288 6.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7793 6.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 7.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 6.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 5.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -6.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -7.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31 1 1 1 0 0 0 47 1 1 6 0 0 0 2 32 2 0 0 0 0 3 47 1 0 0 0 0 3 50 1 0 0 0 0 4 46 1 0 0 0 0 4105 1 0 0 0 0 5 46 2 0 0 0 0 48 6 1 6 0 0 0 52 6 1 1 0 0 0 49 7 1 1 0 0 0 7110 1 0 0 0 0 51 8 1 6 0 0 0 8111 1 0 0 0 0 9 52 1 0 0 0 0 9 56 1 0 0 0 0 10 53 1 0 0 0 0 11 53 2 0 0 0 0 54 12 1 6 0 0 0 12116 1 0 0 0 0 55 13 1 1 0 0 0 13117 1 0 0 0 0 57 14 1 6 0 0 0 14118 1 0 0 0 0 15 58 1 0 0 0 0 16 58 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 1 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 29 1 0 0 0 0 18 35 1 1 0 0 0 19 32 1 0 0 0 0 19 59 1 6 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 20 36 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 60 1 6 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 31 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 37 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 65 1 1 0 0 0 27 30 1 0 0 0 0 27 39 1 0 0 0 0 27 44 1 1 0 0 0 28 30 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 34 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 34 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 84 1 0 0 0 0 38 40 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 43 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 43 1 0 0 0 0 40 45 1 6 0 0 0 40 46 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 47 48 1 0 0 0 0 47103 1 0 0 0 0 48 49 1 0 0 0 0 48104 1 0 0 0 0 49 51 1 0 0 0 0 49106 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 1 0 0 0 50107 1 0 0 0 0 51108 1 0 0 0 0 52 54 1 0 0 0 0 52109 1 0 0 0 0 54 55 1 0 0 0 0 54112 1 0 0 0 0 55 57 1 0 0 0 0 55113 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 1 0 0 0 56114 1 0 0 0 0 57115 1 0 0 0 0 M CHG 2 10 -1 15 -1 M END > 24848365 > 1 > 1720 > 16 > 6 > 5 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 > LPLVUJXQOOQHMX-QWBHMCJMSA-L > 5 > 820.38813582 > C42H60O16-2 > 820.9 > CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C > C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)O > 273 > 820.38813582 > -2 > 58 > 19 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 31 1 5 47 1 6 54 12 6 55 13 5 57 14 6 17 33 5 18 35 5 19 59 6 20 36 6 21 60 6 26 65 5 27 44 5 40 45 6 50 53 5 56 58 5 48 6 6 52 6 5 49 7 5 51 8 6 $$$$