24836924 -OEChem-06201300172D 95 98 0 1 0 0 0 0 0999 V2000 7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 28 1 0 0 0 0 4 34 1 0 0 0 0 5 29 1 0 0 0 0 5 36 1 0 0 0 0 6 30 1 0 0 0 0 6 37 1 0 0 0 0 7 23 1 0 0 0 0 7 72 1 0 0 0 0 8 24 1 0 0 0 0 8 73 1 0 0 0 0 9 37 1 0 0 0 0 9 42 1 0 0 0 0 10 27 1 0 0 0 0 10 79 1 0 0 0 0 11 31 1 0 0 0 0 11 80 1 0 0 0 0 12 35 1 0 0 0 0 12 46 1 0 0 0 0 13 32 1 0 0 0 0 13 81 1 0 0 0 0 14 33 1 0 0 0 0 14 84 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 38 1 0 0 0 0 16 85 1 0 0 0 0 17 39 1 0 0 0 0 17 86 1 0 0 0 0 18 41 1 0 0 0 0 18 87 1 0 0 0 0 19 44 1 0 0 0 0 19 91 1 0 0 0 0 20 45 1 0 0 0 0 20 95 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 22 30 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 41 1 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 43 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 44 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 66 1 0 0 0 0 39 40 1 0 0 0 0 39 67 1 0 0 0 0 40 42 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 45 1 0 0 0 0 42 71 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 M END > 24836924 > 1 > 950 > 20 > 11 > 12 > AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEgAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4CwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]oxymethyl]-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-3,4-diol > 5-[[5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-2-oxanyl]oxy]-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-2-oxanyl]oxymethyl]-3,4-dihydroxy-2-oxanyl]oxy]-6-(hydroxymethyl)-2-methyloxane-3,4-diol > 5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol > 6-(hydroxymethyl)-5-[5-[6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-[[6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-oxane-3,4-diol > 5-[5-(3,4-dihydroxy-5-methoxy-6-methylol-tetrahydropyran-2-yl)oxy-6-[(3,4-dihydroxy-5-methoxy-6-methylol-tetrahydropyran-2-yl)oxymethyl]-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-2-methyl-6-methylol-tetrahydropyran-3,4-diol > InChI=1S/C27H48O20/c1-8-13(31)14(32)23(11(6-30)42-8)46-27-20(38)17(35)24(47-26-19(37)16(34)22(40-3)10(5-29)44-26)12(45-27)7-41-25-18(36)15(33)21(39-2)9(4-28)43-25/h8-38H,4-7H2,1-3H3 > YJISHJVIRFPGGN-UHFFFAOYSA-N > -7.5 > 692.273894 > C27H48O20 > 692.65802 > CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)O)O)O)O)O > CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)O)O)O)O)O > 306 > 692.273894 > 0 > 47 > 0 > 20 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 27 10 3 31 11 3 35 12 3 32 13 3 33 14 3 40 15 3 38 16 3 39 17 3 21 2 3 29 2 3 22 30 3 28 41 3 25 3 3 26 3 3 34 43 3 36 44 3 42 45 3 37 6 3 23 7 3 24 8 3 $$$$