Mrv1533004161519282D 61 68 0 0 0 0 999 V2000 -3.6665 1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 0.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 1.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 0.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 -0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 -1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 -1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -3.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 -3.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -3.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9002 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -4.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 -5.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -4.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7153 -5.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -4.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -4.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 -2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6032 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 0.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4643 1.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 2.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8195 -1.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -1.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 -0.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 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 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 30 39 1 0 0 0 0 39 40 1 0 0 0 0 28 41 1 0 0 0 0 13 41 1 0 0 0 0 41 42 1 0 0 0 0 10 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 20 45 1 0 0 0 0 45 46 1 0 0 0 0 45 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 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 8 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 55 60 1 0 0 0 0 5 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0137267 > NP-MRD > CC(=O)OC1COC(OC2CCC34CC33CCC5(C)C(C(O)CC5(C)C3CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)C2(C)CCC(O2)C(C)(C)O)C(OC(C)=O)C1O > InChI=1S/C45H72O16/c1-21(47)56-26-19-55-38(34(31(26)51)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-24(36(45)39(28,3)4)58-37-33(53)32(52)30(50)25(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3 > HVPKALQHGQMJER-UHFFFAOYSA-N > C45H72O16 > 869.055 > 868.482036238 > 14 > 133 > 93.80827265741154 > 0 > 7 > 0 > 0 > 5-(acetyloxy)-4-hydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxan-3-yl acetate > 1.64 > 0.5707077903333346 > -4.19 > 1 > 8 > 0 > 12.807426515385913 > 12.13174838105129 > -2.87594324507326 > 240.35999999999996 > 212.88310000000007 > 11 > 0 > 5.64e-02 g/l > 5-(acetyloxy)-4-hydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxan-3-yl acetate > 0 > NP0137267 > Isoastragaloside I $$$$