Mrv0541 01151414182D 80 88 0 0 0 0 999 V2000 7.6082 -3.2040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6207 -2.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 -3.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0541 -2.3915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4707 -3.6082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4832 -8.9832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1916 -2.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3374 -1.9665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1957 -7.7457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4832 -9.8082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8999 -2.3874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1832 -3.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4749 -4.4332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9041 -6.4999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9082 -7.3290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7582 -4.8374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7624 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -4.8665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6166 -2.8040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7666 -10.2207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1874 -6.0999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1874 -3.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 -4.4415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1999 -8.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 -8.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4707 -6.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4791 -2.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6166 -3.6290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8999 -4.0415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0541 -9.8082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4791 -7.3374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9041 -1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 -4.4665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0499 -4.4332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0541 -8.9832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5999 -3.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 -4.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3207 -3.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8999 -4.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -2.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0416 -3.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7582 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -4.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7791 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -3.6374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3499 -1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 -5.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8957 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 -3.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -3.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -3.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1999 -10.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8999 -1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6124 -6.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -5.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6249 -7.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 -11.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3332 -2.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7957 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3291 -4.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3416 -10.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4791 -4.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 -5.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 -4.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -5.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4457 -3.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7666 -7.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5166 -5.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0499 -7.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3416 -8.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6624 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4874 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1749 -4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3332 -2.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7582 -4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1957 -3.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 -8.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 41 1 0 0 0 0 5 12 1 0 0 0 0 6 24 1 0 0 0 0 7 27 1 1 0 0 0 8 2 1 0 0 0 0 9 15 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 21 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 4 17 1 1 0 0 0 18 23 1 0 0 0 0 19 11 1 0 0 0 0 20 10 1 0 0 0 0 21 47 1 1 0 0 0 22 7 1 0 0 0 0 23 37 1 0 0 0 0 9 24 1 6 0 0 0 25 6 1 0 0 0 0 26 21 1 0 0 0 0 27 17 1 0 0 0 0 28 19 1 0 0 0 0 29 22 1 0 0 0 0 30 20 1 0 0 0 0 31 26 1 0 0 0 0 32 2 2 0 0 0 0 33 18 1 0 0 0 0 34 16 1 0 0 0 0 35 25 1 0 0 0 0 36 23 1 0 0 0 0 34 37 1 1 0 0 0 38 1 1 0 0 0 0 39 3 1 0 0 0 0 40 32 1 0 0 0 0 41 38 1 0 0 0 0 42 5 1 0 0 0 0 43 39 1 0 0 0 0 44 4 1 0 0 0 0 45 50 1 0 0 0 0 46 8 1 0 0 0 0 47 48 1 0 0 0 0 29 48 1 1 0 0 0 49 17 2 0 0 0 0 50 36 1 0 0 0 0 51 46 1 0 0 0 0 52 42 1 0 0 0 0 10 53 1 6 0 0 0 11 54 1 6 0 0 0 14 55 1 6 0 0 0 18 56 1 6 0 0 0 15 57 1 1 0 0 0 20 58 1 6 0 0 0 19 59 1 1 0 0 0 60 44 1 0 0 0 0 28 61 1 6 0 0 0 30 62 1 1 0 0 0 33 63 1 1 0 0 0 16 64 1 6 0 0 0 1 65 1 6 0 0 0 3 66 1 1 0 0 0 5 67 1 1 0 0 0 16 68 1 0 0 0 0 45 69 1 1 0 0 0 31 70 1 1 0 0 0 71 64 1 0 0 0 0 72 70 1 0 0 0 0 35 73 1 6 0 0 0 74 51 1 0 0 0 0 75 51 1 0 0 0 0 12 76 1 6 0 0 0 8 77 1 1 0 0 0 13 78 1 6 0 0 0 23 79 1 6 0 0 0 6 80 1 6 0 0 0 4 8 1 0 0 0 0 40 12 1 0 0 0 0 43 13 1 0 0 0 0 51 60 1 0 0 0 0 34 52 1 0 0 0 0 28 29 1 0 0 0 0 45 33 1 0 0 0 0 9 31 1 0 0 0 0 35 30 1 0 0 0 0 M END > CHEBI:69375 > cauloside D > A triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus. > 3 > hederagenin 3-O-alpha-L-arabinopyranoside 28-O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl ester > 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3-(alpha-L-arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C53H86O22 > 1075.23670 > 1074.56107 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1 > UEHILKCNLIKLEV-LXABABOZSA-N > 12672-45-6 > 5724495 > 12672-45-6 > 21870831 $$$$