Mrv0541 11201315492D 61 68 0 0 0 0 999 V2000 11.2890 -10.8681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2890 -10.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2890 -11.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0015 -11.2765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7314 -6.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0015 -9.6262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4350 -8.8178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7153 -5.5882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7099 -10.0471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7230 -7.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2943 -5.5882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4321 -5.1799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8649 -5.5924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5817 -5.1799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4267 -9.6387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1447 -5.5965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8691 -6.4175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0063 -8.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0027 -5.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2185 -8.5761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0146 -6.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7111 -6.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5858 -6.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2937 -7.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7099 -10.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1363 -6.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2943 -6.4133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5764 -9.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4196 -6.8301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4852 -7.7927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5764 -11.2848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2978 -6.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4481 -6.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7266 -8.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9973 -8.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 -10.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 -10.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2018 -9.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6936 -9.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1565 -6.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4355 -8.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5764 -8.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4362 -4.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2848 -9.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1523 -5.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5775 -4.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8614 -5.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8531 -6.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4309 -7.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0069 -6.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5764 -12.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0229 -5.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0110 -7.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4196 -7.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9393 -7.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4184 -10.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0436 -8.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -7.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7058 -9.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9932 -10.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7070 -4.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 4 1 1 0 0 0 0 5 21 2 0 0 0 0 2 6 1 0 0 0 0 15 7 1 0 0 0 0 8 19 1 0 0 0 0 6 9 1 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 12 8 1 0 0 0 0 13 17 1 0 0 0 0 14 13 1 0 0 0 0 9 15 1 0 0 0 0 16 12 1 0 0 0 0 17 40 1 1 0 0 0 24 18 1 0 0 0 0 11 19 1 6 0 0 0 7 20 1 0 0 0 0 21 32 1 0 0 0 0 22 8 1 0 0 0 0 23 17 1 0 0 0 0 30 24 1 0 0 0 0 4 25 1 0 0 0 0 26 16 1 0 0 0 0 27 23 1 0 0 0 0 2 28 1 0 0 0 0 29 22 1 0 0 0 0 20 30 1 0 0 0 0 1 31 1 0 0 0 0 24 32 1 0 0 0 0 33 5 1 0 0 0 0 34 35 1 0 0 0 0 6 35 1 0 0 0 0 36 37 2 0 0 0 0 31 37 1 0 0 0 0 15 38 1 0 0 0 0 39 38 1 0 0 0 0 40 33 1 0 0 0 0 41 10 2 0 0 0 0 42 28 2 0 0 0 0 12 43 1 6 0 0 0 2 44 1 1 0 0 0 13 45 1 6 0 0 0 14 46 1 1 0 0 0 16 47 1 6 0 0 0 26 48 1 1 0 0 0 7 49 1 1 0 0 0 27 50 1 1 0 0 0 31 51 1 1 0 0 0 52 21 1 0 0 0 0 53 50 1 0 0 0 0 29 54 1 6 0 0 0 30 55 1 6 0 0 0 15 56 1 6 0 0 0 20 57 1 6 0 0 0 24 58 1 6 0 0 0 9 59 1 1 0 0 0 6 60 1 6 0 0 0 8 61 1 6 0 0 0 4 3 1 1 0 0 0 9 25 1 0 0 0 0 36 28 1 0 0 0 0 7 34 1 0 0 0 0 20 39 1 0 0 0 0 5 10 1 0 0 0 0 27 11 1 0 0 0 0 29 26 1 0 0 0 0 M END > CHEBI:69112 > withalongolide H > A withanolide saponin that consists of withaferin A attached to a α-L-rhamnopyranosyl(1→4)-β-D-glucopyranosyl residue via a glycosidic linkage. Isolated from the aerial parts of Physalis longifolia, it exhibits antineoplastic activity. > 3 > 27-O-[alpha-L-rhamnopyranosyl(1->4)]-beta-D-glucopyranosylwithaferin A > (4beta,5beta,6beta,22R)-4-hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-27-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside > C40H58O15 > 778.87950 > 778.37757 > 0 > C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O1 > InChI=1S/C40H58O15/c1-16-12-24(17(2)21-6-7-22-19-13-28-40(55-28)27(43)9-8-26(42)39(40,5)23(19)10-11-38(21,22)4)52-35(49)20(16)15-50-36-33(48)31(46)34(25(14-41)53-36)54-37-32(47)30(45)29(44)18(3)51-37/h8-9,17-19,21-25,27-34,36-37,41,43-48H,6-7,10-15H2,1-5H3/t17-,18-,19-,21+,22-,23-,24+,25+,27-,28+,29-,30+,31+,32+,33+,34+,36+,37-,38+,39-,40+/m0/s1 > KWSCHTSFNFDQSG-IPAGGVPOSA-N > 22217724 > 22098611 $$$$