Mrv1909 10091921542D 72 79 0 0 0 0 999 V2000 2.2839 1.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 1.5371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8358 2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 1.2380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8654 1.7905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3121 0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5254 0.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9111 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1303 0.4757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9577 -0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3591 -0.6276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5731 -0.8781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7916 -1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 -1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 -2.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 -1.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6235 -1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -2.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -3.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0446 -3.2748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8610 -4.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 -4.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 -4.3910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4300 -3.5904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1439 -0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2637 1.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0287 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 -4.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2193 -3.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 -3.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -2.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -4.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 -3.2307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7454 -2.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 -2.9266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7040 -3.7337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0909 -4.2885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3018 -4.0360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1394 -2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -1.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 -3.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 -5.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -4.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 -1.0098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3971 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0048 0.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7926 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9696 -0.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3585 -1.2666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8269 1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0396 1.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 -2.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7566 -0.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4019 0.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 1.4636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4357 1.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2567 2.5127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8636 3.0733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6524 2.8256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8344 2.0174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4687 2.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 3.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6217 1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 0.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2598 3.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 1.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -0.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 -2.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 34 1 1 0 0 0 4 5 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 2 1 1 0 0 0 0 37 35 1 1 0 0 0 37 38 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 20 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 2 3 1 6 0 0 0 39 43 1 1 0 0 0 7 11 1 0 0 0 0 43 44 1 0 0 0 0 8 9 1 0 0 0 0 40 45 1 6 0 0 0 9 10 1 0 0 0 0 41 46 1 1 0 0 0 10 12 1 0 0 0 0 42 47 1 6 0 0 0 11 12 1 0 0 0 0 48 44 1 1 0 0 0 48 49 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 4 6 1 0 0 0 0 50 54 1 1 0 0 0 7 25 1 1 0 0 0 54 55 1 0 0 0 0 5 2 1 0 0 0 0 53 56 1 6 0 0 0 4 26 1 6 0 0 0 52 57 1 1 0 0 0 2 8 1 0 0 0 0 51 58 1 6 0 0 0 5 27 1 1 0 0 0 59 58 1 0 0 0 0 59 60 1 0 0 0 0 7 6 1 0 0 0 0 3 28 1 0 0 0 0 11 14 1 0 0 0 0 9 29 1 1 0 0 0 12 16 1 0 0 0 0 59 64 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 63 64 1 0 0 0 0 12 30 1 1 0 0 0 61 65 1 6 0 0 0 15 13 2 0 0 0 0 62 66 1 1 0 0 0 16 31 1 6 0 0 0 64 67 1 6 0 0 0 13 14 1 0 0 0 0 59 68 1 6 0 0 0 23 32 1 6 0 0 0 63 69 1 6 0 0 0 15 16 1 0 0 0 0 8 70 1 6 0 0 0 24 33 1 1 0 0 0 11 71 1 6 0 0 0 7 8 1 0 0 0 0 19 72 1 1 0 0 0 M END > DB15532 > drugbank > [H][C@@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@@H](C)[C@H](C)[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]7([H])[C@H](O)C[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42+,44-,45+,46-,47-,48+/m1/s1 > BNMGUJRJUUDLHW-HCZMHFOYSA-N > C48H78O20 > 975.132 > 974.508644912 > 19 > 146 > 103.17038937881507 > 0 > 13 > 0 > 0 > (2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > -0.03 > -1.8454635690000003 > -2.76 > 1 > 8 > 0 > 12.201051911554666 > 11.754330014941178 > -3.612182608900951 > 335.44000000000005 > 234.14080000000007 > 10 > 0 > 1.71e+00 g/l > 3-methyl-[1,2,4]triazino[3,4-a]phthalazin-4-one > 0 > DB15532 > experimental > Madecassoside > Asiaticoside A; Redermic > CareMe Madecassoside Cica Derma Repair Control Treatment; Dr.Different CICA Metal; Dr.Different CICA Metal Calming Pad; Karatica Im Cica Essence Pack $$$$