Mrv0541 02241212202D 89 97 0 0 0 0 999 V2000 -4.9795 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 -2.4455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9795 -2.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2650 -2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2650 -1.6205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5505 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5505 -2.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8361 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 -1.6205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8361 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5505 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 -1.2080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1216 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4071 0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4071 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6927 1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4084 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4084 -2.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1229 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5518 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8373 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1229 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8373 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 -4.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -4.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 -3.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4785 -0.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0515 -3.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -3.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5505 -3.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 0.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 0.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 -0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4507 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4507 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8797 0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8797 0.8545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1652 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5941 -0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3086 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3086 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 0.0295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7376 0.8545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4520 -0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5941 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2606 2.8065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4356 2.8065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0231 3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 4.2355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2606 4.2355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6731 3.5210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6731 4.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4981 3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6731 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1548 3.1024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9517 2.8889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5351 3.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 4.2692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5246 4.4827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9413 3.8993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3111 5.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 4.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 4.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 5.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2663 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 7 6 1 0 0 0 0 6 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 7 10 1 0 0 0 0 12 7 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 15 14 1 0 0 0 0 14 13 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 15 18 1 0 0 0 0 20 15 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 6 0 0 0 25 26 1 0 0 0 0 28 26 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 28 30 1 0 0 0 0 4 34 1 1 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 6 35 1 6 0 0 0 5 36 1 6 0 0 0 36 37 1 0 0 0 0 10 38 1 1 0 0 0 8 39 1 1 0 0 0 14 40 1 1 0 0 0 13 41 1 6 0 0 0 15 42 1 6 0 0 0 18 43 1 1 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 56 1 6 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 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 49 52 1 1 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 50 55 1 6 0 0 0 51 65 1 1 0 0 0 46 85 1 6 0 0 0 47 56 1 1 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 1 0 0 0 62 64 1 1 0 0 0 57 75 1 6 0 0 0 58 65 1 1 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 66 74 1 1 0 0 0 67 68 1 0 0 0 0 67 75 1 6 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 6 0 0 0 71 73 1 1 0 0 0 76 77 1 0 0 0 0 76 81 1 0 0 0 0 76 84 1 6 0 0 0 77 78 1 0 0 0 0 77 85 1 1 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 1 0 0 0 81 83 1 1 0 0 0 79 86 1 1 0 0 0 86 87 1 0 0 0 0 69 88 1 1 0 0 0 27 89 1 0 0 0 0 M END > CHEM024044 > chemdb > OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@@]54C)C3(C)C)O[C@H](C(O)=O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C60H94O26/c1-12-24(2)50(76)86-47-48(79-26(4)63)60(23-62)28(19-55(47,5)6)27-13-14-32-57(9)17-16-34(56(7,8)31(57)15-18-58(32,10)59(27,11)20-33(60)65)81-54-46(85-52-41(72)39(70)37(68)30(21-61)80-52)43(42(73)44(83-54)49(74)75)82-53-45(36(67)29(64)22-77-53)84-51-40(71)38(69)35(66)25(3)78-51/h12-13,25,28-48,51-54,61-62,64-73H,14-23H2,1-11H3,(H,74,75)/b24-12+/t25-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,42-,43-,44-,45+,46+,47-,48-,51-,52-,53-,54+,57-,58+,59+,60-/m0/s1 > QECHAIXWDZISOO-QMWWLFFJSA-N > C60H94O26 > 1231.3728 > 1230.60333318 > 24 > 127.32497343853254 > 0 > 13 > 0 > 0 > (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 1.49 > 0.30999090566666493 > -3.42 > 1 > 9 > -1 > 11.910844850544594 > 3.3020643312192357 > -3.6765067029822633 > 406.5000000000001 > 292.91620000000006 > 16 > 0 > 4.73e-01 g/l > (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > Floratheasaponin G > 942924-90-5 $$$$