Ketcher 07061708522D 1 1.00000 0.00000 0 78 87 0 1 0 999 V2000 11.3142 -7.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -8.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -6.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4483 -6.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -6.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0462 -7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9122 -8.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1802 -9.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0462 -6.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1802 -8.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -5.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0464 -4.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7161 -10.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7161 -11.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -9.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -10.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -8.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5821 -8.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4481 -10.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7161 -8.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5821 -9.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -8.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -8.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5823 -3.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7163 -3.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4484 -3.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4484 -2.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3144 -3.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4483 -5.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7163 -5.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3143 -4.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5823 -4.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -3.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0464 -3.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3144 -1.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3144 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1805 -2.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1806 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0466 -1.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0466 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4484 -0.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1806 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9126 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6442 -6.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -6.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6442 -8.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 -8.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2423 -7.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -7.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 -6.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2423 -6.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5103 -6.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5103 -7.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2423 -4.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 -5.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0595 -6.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6473 -5.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2352 -6.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5984 -5.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 -7.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2423 -5.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5103 -5.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5103 -8.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1084 -5.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1084 -4.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0595 -5.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0595 -4.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6473 -4.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6473 -3.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4643 -5.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3304 -4.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4643 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5984 -4.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5984 -3.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3304 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1965 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1084 -6.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1084 -7.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 3 1 0 0 0 5 9 1 0 0 0 3 1 1 0 0 0 9 6 1 0 0 0 1 10 1 0 0 0 6 10 1 0 0 0 1 2 1 1 0 0 3 4 1 6 0 0 5 11 1 1 0 0 6 7 1 1 0 0 10 8 1 6 0 0 11 12 1 0 0 0 17 15 1 0 0 0 17 20 1 0 0 0 15 13 1 0 0 0 20 18 1 0 0 0 13 21 1 0 0 0 18 21 1 0 0 0 13 14 1 1 0 0 15 16 1 6 0 0 17 22 1 1 0 0 21 19 1 6 0 0 22 23 1 0 0 0 18 2 1 1 0 0 28 26 1 0 0 0 28 31 1 0 0 0 26 24 1 0 0 0 31 29 1 0 0 0 24 32 1 0 0 0 29 32 1 0 0 0 24 25 1 1 0 0 26 27 1 6 0 0 28 33 1 1 0 0 29 4 1 1 0 0 32 30 1 6 0 0 33 34 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 40 1 0 0 0 35 27 1 1 0 0 36 41 1 6 0 0 38 42 1 1 0 0 40 43 1 6 0 0 44 45 1 0 0 0 47 48 1 0 0 0 49 46 1 0 0 0 45 49 1 0 0 0 49 7 1 1 0 0 50 55 1 0 0 0 50 60 1 6 0 0 50 51 1 0 0 0 51 48 1 0 0 0 51 77 1 0 0 0 51 61 1 1 0 0 52 44 1 0 0 0 52 50 1 0 0 0 52 62 1 1 0 0 53 46 1 0 0 0 53 52 1 0 0 0 53 47 1 0 0 0 53 63 1 1 0 0 54 55 1 0 0 0 64 54 1 0 0 0 77 56 1 0 0 0 57 56 1 0 0 0 66 57 1 0 0 0 57 59 1 0 0 0 57 58 1 6 0 0 73 59 1 0 0 0 77 64 1 0 0 0 64 66 1 0 0 0 64 65 1 1 0 0 66 68 1 0 0 0 66 67 1 6 0 0 68 73 1 0 0 0 68 69 1 6 0 0 70 71 1 0 0 0 73 70 1 1 0 0 71 75 1 0 0 0 75 72 1 0 0 0 72 74 1 0 0 0 73 74 1 6 0 0 75 76 1 1 0 0 77 78 1 6 0 0 M END > CHEBI:134508 > asparagoside F > A spirostanyl glycoside that is sarsasapogenin in which the hydroxy hydrogen at position 3 has been replaced by a β-D-glucopyranosyl-(1→3)-[β-D-xylopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl moiety. It is isolated from Asparagus officinalis. > 3 > sarsasapogenin 3-O-{beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside} > (25S)-5beta-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside > C50H82O22 > 1035.175 > 1034.52977 > 0 > [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2C[C@@]3([C@](CC2)([C@]4(CC[C@]5([C@]([C@@]4(CC3)[H])(C[C@]6([C@@]5([C@@H]([C@]7(O6)CC[C@@H](CO7)C)C)[H])[H])[H])C)[H])C)[H])CO)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)CO)O[C@@H]%10O[C@@H]([C@H]([C@@H]([C@H]%10O)O)O)CO > InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-40(62)43(71-45-38(60)35(57)34(56)29(15-51)66-45)42(31(17-53)68-47)70-46-39(61)36(58)41(30(16-52)67-46)69-44-37(59)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/t20-,21-,22+,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50+/m0/s1 > JGMVGSROWHLFSW-QDHKAWJGSA-N $$$$