Marvin 04031312002D 114125 0 0 0 0 999 V2000 12.9776 -10.9309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9705 -11.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6813 -12.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3968 -11.7634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4013 -10.9363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6901 -10.5187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6918 -9.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4046 -9.2788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1100 -12.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -10.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1168 -9.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8315 -9.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8374 -8.4605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1224 -8.0459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4014 -8.4536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1268 -7.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5558 -8.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5453 -9.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0795 -16.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 -15.1821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3697 -15.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9578 -13.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 -12.9444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1354 -13.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4536 -8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8687 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2837 -8.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -11.7071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8410 -12.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5546 -11.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 -11.7071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2648 -12.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9751 -12.9492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6893 -12.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 -11.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6889 -11.7157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7100 -10.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9874 -10.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4168 -10.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4031 -11.3124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1050 -11.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8253 -11.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 -10.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8348 -10.5159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5523 -10.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5740 -9.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1481 -9.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5455 -10.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5430 -11.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 -10.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3949 -12.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6808 -10.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2609 -10.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9705 -13.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 -13.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 -11.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1251 -12.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4088 -12.5338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4108 -11.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 -11.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9845 -11.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9828 -12.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6953 -12.9507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6950 -13.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -12.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 -11.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 -10.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -10.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -14.1878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2297 -13.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6753 -14.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 -15.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5099 -15.5662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -15.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -14.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 -13.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9695 -10.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8451 -6.8084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6900 -8.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5570 -7.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2731 -6.8241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2818 -5.9976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5682 -5.5806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8459 -5.9858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1320 -5.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5755 -4.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0016 -5.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9854 -7.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9778 -8.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7139 -6.0107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7015 -6.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4098 -7.2596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1278 -6.8546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1373 -6.0275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4288 -5.6055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1364 -4.7448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8624 -4.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8688 -3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1568 -3.0949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4368 -3.5008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4287 -4.3297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1643 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7284 -3.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7137 -4.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3990 -8.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8384 -7.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8584 -5.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4367 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8383 -5.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4060 -7.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7072 -5.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2567 -13.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1256 -10.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 -12.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 15 1 0 0 0 0 24 55 1 0 0 0 0 11 12 1 0 0 0 0 28 56 1 1 0 0 0 12 13 1 0 0 0 0 29 57 1 1 0 0 0 28 30 1 0 0 0 0 58 57 1 0 0 0 0 58 59 1 0 0 0 0 29 23 1 0 0 0 0 23 32 1 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 13 14 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 14 15 1 0 0 0 0 63 64 1 6 0 0 0 62 65 1 1 0 0 0 14 16 1 0 0 0 0 61 66 1 6 0 0 0 31 35 1 0 0 0 0 60 67 1 1 0 0 0 32 33 1 0 0 0 0 67 68 1 0 0 0 0 33 34 1 0 0 0 0 69 64 1 0 0 0 0 69 70 1 0 0 0 0 34 36 1 0 0 0 0 35 36 1 0 0 0 0 8 7 1 1 0 0 0 70 71 1 0 0 0 0 71 20 1 0 0 0 0 20 72 1 0 0 0 0 72 69 1 0 0 0 0 13 17 1 1 0 0 0 72 73 1 6 0 0 0 1 6 1 0 0 0 0 21 74 1 0 0 0 0 1 50 1 1 0 0 0 12 18 1 6 0 0 0 69 75 1 6 0 0 0 35 38 1 0 0 0 0 58 76 1 6 0 0 0 36 40 1 0 0 0 0 6 77 1 1 0 0 0 39 37 2 0 0 0 0 78 16 1 1 0 0 0 37 38 1 0 0 0 0 15 79 1 6 0 0 0 78 80 1 0 0 0 0 39 40 1 0 0 0 0 20 19 1 0 0 0 0 20 21 1 1 0 0 0 4 9 1 1 0 0 0 2 3 1 0 0 0 0 78 84 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 39 43 1 0 0 0 0 84 85 1 0 0 0 0 40 41 1 0 0 0 0 83 86 1 1 0 0 0 41 42 1 0 0 0 0 82 87 1 6 0 0 0 42 44 1 0 0 0 0 81 88 1 1 0 0 0 43 44 1 0 0 0 0 88 89 1 0 0 0 0 5 10 1 1 0 0 0 90 87 1 0 0 0 0 90 91 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 6 0 0 0 8 11 1 0 0 0 0 3 4 1 0 0 0 0 43 47 1 0 0 0 0 90 95 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 44 45 1 0 0 0 0 96 85 1 1 0 0 0 96 97 1 0 0 0 0 45 46 1 0 0 0 0 46 26 1 0 0 0 0 26 47 1 0 0 0 0 4 5 1 0 0 0 0 44 48 1 1 0 0 0 96101 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 26 25 1 0 0 0 0 99102 1 6 0 0 0 48 49 2 0 0 0 0 100103 1 1 0 0 0 27 26 1 0 0 0 0 101104 1 6 0 0 0 48 50 1 0 0 0 0 92105 1 6 0 0 0 5 6 1 0 0 0 0 93106 1 1 0 0 0 40 51 1 6 0 0 0 94107 1 6 0 0 0 1 2 1 0 0 0 0 95108 1 6 0 0 0 36 52 1 1 0 0 0 84109 1 1 0 0 0 6 7 1 0 0 0 0 14110 1 1 0 0 0 31 53 1 1 0 0 0 90111 1 6 0 0 0 28 29 1 0 0 0 0 32112 1 6 0 0 0 33 54 1 1 0 0 0 43113 1 1 0 0 0 35114 1 6 0 0 0 M END > CHEBI:66653 > madhucoside B > A triterpenoid saponin that consists of protobassic acid as the aglycone moiety. Isolated from the barks of Madhuca indica, it exhibits radical scavenging activity. > 3 > 3-O-beta-D-apiofuranosyl(1->2)-beta-D-glucopyranosyl-28-O-{beta-D-xylopyranosyl(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranosyl(1->3)-alpha-L-rhamnopyranosyl(1->2)-alpha-L-arabinopyranosyl}protobassic acid > 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,6beta)-3-({2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranosyl}oxy)-2,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose > C69H112O36 > 1517.60600 > 1516.69333 > 0 > [H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1[C@@H](O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@]1(C)CO)C(=O)O[C@@H]1OC[C@H](O)[C@H](O)[C@@]1([H])O[C@@H]1O[C@@H](C)[C@H](O)[C@@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@]2([H])O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O > InChI=1S/C69H112O36/c1-25-36(78)41(83)44(86)56(95-25)99-47-34(19-71)98-59(51(45(47)87)101-55-43(85)38(80)31(76)20-92-55)100-48-37(79)26(2)96-57(46(48)88)102-49-39(81)32(77)21-93-58(49)105-62(90)68-13-11-63(3,4)15-28(68)27-9-10-35-64(5)16-30(75)54(65(6,22-72)52(64)29(74)17-67(35,8)66(27,7)12-14-68)104-60-50(42(84)40(82)33(18-70)97-60)103-61-53(89)69(91,23-73)24-94-61/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45-,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,64+,65-,66+,67+,68-,69+/m0/s1 > GOCQBMDZEDNKSZ-RAJYQNHOSA-N > 11309207 > 15104500 $$$$