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1 1 0 0 0 51 52 1 0 0 0 0 50 53 1 0 0 0 0 53 54 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 1 0 0 0 58 59 1 0 0 0 0 57 60 1 0 0 0 0 60 61 1 1 0 0 0 62 60 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 1 0 0 0 67 68 1 0 0 0 0 66 69 1 0 0 0 0 69 70 1 1 0 0 0 71 69 1 0 0 0 0 71 72 1 1 0 0 0 71 73 1 0 0 0 0 73 64 1 0 0 0 0 73 74 1 6 0 0 0 62 75 1 0 0 0 0 75 55 1 0 0 0 0 75 76 1 6 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 77 79 1 0 0 0 0 80 53 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 6 0 0 0 83 82 1 0 0 0 0 84 83 1 0 0 0 0 84 85 1 6 0 0 0 86 84 1 0 0 0 0 86 87 1 1 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 88 90 1 0 0 0 0 91 86 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 6 0 0 0 92 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 94 97 1 1 0 0 0 91 98 1 1 0 0 0 99 91 1 0 0 0 0 99 82 1 0 0 0 0 82100 1 0 0 0 0 100101 1 0 0 0 0 102101 1 6 0 0 0 80102 1 0 0 0 0 102 48 1 0 0 0 0 100103 2 0 0 0 0 104 46 1 0 0 0 0 104105 1 6 0 0 0 104106 1 0 0 0 0 106 41 1 0 0 0 0 106107 1 1 0 0 0 M END > DB12351 > drugbank > [H][C@]1(O[C@@]2(C[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]3CO)[C@@H]1OC2=O)[C@H](O)[C@H](O)CO > InChI=1S/C73H129N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-96-69-61(94)59(92)62(50(39-80)99-69)101-71-67-66(106-73(72(95)104-67)35-46(85)53(74-42(3)82)65(105-73)55(88)47(86)36-77)63(51(40-81)100-71)102-68-54(75-43(4)83)64(57(90)49(38-79)97-68)103-70-60(93)58(91)56(89)48(37-78)98-70/h31,33,44-51,53-71,77-81,84-86,88-94H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68-,69+,70-,71-,73-/m0/s1 > WVHBJHLTCHODOA-MYYVOHNDSA-N > C73H129N3O30 > 1528.826 > 1527.866089766 > 29 > 235 > 0.20619577837402045 > 168.86194743591568 > 0 > 18 > 0 > 0 > N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-[(2S,4S,4'aR,5R,5'S,6R,7'R,8'S,8'aS)-5-acetamido-8'-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-7'-(hydroxymethyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-hexahydrospiro[oxane-2,2'-pyrano[3,4-b][1,4]dioxin]-3'-oneoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide > 2.65 > 2.645351875333329 > -3.96 > 1 > 0 > 6 > 0 > 12.040755364874279 > 11.599876914023644 > -3.640900582525046 > 509.3500000000001 > 372.5112999999998 > 49 > 0 > 1.67e-01 g/l > siagoside > 0 > DB12351 > investigational > Siagoside > Ganglioside GM1 lactone; Siagoside; Siagosido; Siagosidum > Sygen $$$$