70251035 -OEChem-04192412322D 90 95 0 1 0 0 0 0 0999 V2000 8.6303 2.1708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.7662 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7901 -1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 -1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1777 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 5.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 2.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1336 1.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6264 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 2.1641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9021 1.1641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0380 0.6608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0303 2.6608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0260 -0.3808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9260 -0.9051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1701 1.1574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1662 2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2358 3.6334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8140 0.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 -0.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.9051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2241 3.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5650 4.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 4.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 5.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9038 5.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.0361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -5.5361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -3.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 0.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0119 0.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 2.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 2.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 4.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 1.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -0.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4357 -0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 -0.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 3.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 4.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1544 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 3.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 3.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6606 0.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 -0.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -2.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 1.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -1.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 4.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 3.6623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 -0.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 5.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0325 2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7536 1.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -4.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 17 2 1 1 0 0 0 22 3 1 1 0 0 0 3 71 1 0 0 0 0 23 4 1 6 0 0 0 4 72 1 0 0 0 0 29 5 1 1 0 0 0 5 73 1 0 0 0 0 6 33 1 0 0 0 0 6 76 1 0 0 0 0 35 7 1 1 0 0 0 39 7 1 1 0 0 0 8 37 1 0 0 0 0 8 40 1 0 0 0 0 9 79 1 0 0 0 0 10 80 1 0 0 0 0 12 39 1 0 0 0 0 12 43 1 0 0 0 0 13 40 2 0 0 0 0 41 14 1 6 0 0 0 14 85 1 0 0 0 0 42 15 1 6 0 0 0 15 89 1 0 0 0 0 44 16 1 1 0 0 0 16 90 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 18 46 1 1 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 47 1 6 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 32 1 1 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 21 33 1 1 0 0 0 22 28 1 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 30 1 0 0 0 0 25 36 1 1 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 34 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 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 35 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 38 40 1 0 0 0 0 38 77 1 0 0 0 0 39 41 1 0 0 0 0 39 78 1 0 0 0 0 41 42 1 0 0 0 0 41 81 1 0 0 0 0 42 44 1 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 6 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 M END > 70251035 > 1 > 1260 > 15 > 9 > 6 > AAADcfB4PAIAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACCAAD1SwgAMCCAAABxCIQiDSCIAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADCAAYQADAAAYAADAAAAA== > [(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl] dihydrogen phosphate > [(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl] dihydrogen phosphate > [(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl] dihydrogen phosphate > [(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl] dihydrogen phosphate > [(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,11-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl] dihydrogen phosphate > [(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-10-methylol-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl] dihydrogen phosphate > InChI=1S/C29H45O15P/c1-13-22(34)23(35)24(36)25(42-13)43-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(44-45(38,39)40)6-4-16(14-7-20(33)41-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-37H,3-6,8-12H2,1-2H3,(H2,38,39,40)/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 > SBZJTMGXGURHAE-HBYQJFLCSA-N > -2.8 > 664.24960772 > C29H45O15P > 664.6 > CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)OP(=O)(O)O)CO)O)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)OP(=O)(O)O)CO)O)O)O)O > 253 > 664.24960772 > 0 > 45 > 15 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 41 14 6 42 15 6 44 16 5 18 46 5 19 47 6 17 2 5 20 32 5 21 33 5 25 36 5 22 3 5 23 4 6 43 45 6 29 5 5 35 7 5 39 7 5 $$$$