Mrv1652304282222582D 57 63 0 0 1 0 999 V2000 6.0770 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -1.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1105 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -3.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3480 -3.1599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7605 -2.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3480 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -4.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5520 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9645 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 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 4 10 1 6 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 7 14 1 6 0 0 0 15 12 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 15 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 16 25 1 6 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 27 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 1 0 0 0 32 35 1 6 0 0 0 31 36 1 1 0 0 0 30 37 1 6 0 0 0 37 38 1 0 0 0 0 11 39 1 1 0 0 0 8 40 1 6 0 0 0 5 41 1 6 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 2 44 1 1 0 0 0 45 44 1 6 0 0 0 45 46 1 0 0 0 0 46 47 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 45 50 1 0 0 0 0 50 51 1 1 0 0 0 49 52 1 1 0 0 0 48 53 1 1 0 0 0 47 54 1 6 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 1 57 1 1 0 0 0 M END > NP0075729 > NP-MRD > CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C42H66O15/c1-37(2)12-14-42(36(53)57-34-29(49)26(46)25(45)22(18-43)54-34)15-13-40(6)19(20(42)16-37)8-9-24-39(5)17-21(44)32(38(3,4)23(39)10-11-41(24,40)7)56-35-30(50)27(47)28(48)31(55-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31-,32+,34-,35-,39-,40+,41+,42-/m0/s1 > GZNCPAASLBFTKY-RHIZMNDLSA-N > C42H66O15 > 810.975 > 810.440171425 > 14 > 123 > 86.94419592124686 > 0 > 9 > 0 > 0 > (2S,3S,4R,5R,6R)-6-{[(2R,3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid > 2.37 > 1.8013006253333317 > -3.89 > 1 > 7 > -1 > 11.911411126745634 > 3.5182148357786467 > -3.6483977515465424 > 253.12999999999997 > 199.69790000000015 > 7 > 0 > 1.04e-01 g/l > (2S,3S,4R,5R,6R)-6-{[(2R,3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 > NP0075729 > (+)-Ilexoside L $$$$