Mrv1902 03141921222D 81 88 0 0 0 0 999 V2000 -3.9557 -4.4736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9557 -5.2986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6682 -5.7069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6682 -4.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 -5.2986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3808 -4.4736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2433 -5.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6682 -6.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0932 -5.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0932 -4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8098 -4.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -4.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -1.5673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7555 -1.9840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2319 -3.2380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3306 -1.9964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0390 -1.5755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5151 -2.8340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5266 1.5659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8140 1.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4680 -0.7423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9359 -2.8172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3390 -2.8214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8099 2.7951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2431 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 -2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3693 -3.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5181 3.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9318 -1.9964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2348 2.7994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7432 -0.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2152 -1.5923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2515 -0.4881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0265 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 0.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 -3.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0859 -2.8340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2515 -1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 -2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 -3.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 -1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 4.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 3.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1016 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3806 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6569 -3.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0932 3.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6443 -1.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 4.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -2.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2307 1.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 -0.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 -0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8098 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -2.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 -3.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 4.4689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3695 4.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 4.4741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0737 5.2994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3552 5.7069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6408 5.2890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9231 5.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3499 6.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 5.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 4.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 3.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 -4.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0859 -3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 2 7 1 6 0 0 0 3 8 1 1 0 0 0 5 9 1 6 0 0 0 6 10 1 1 0 0 0 11 10 1 0 0 0 0 3 5 1 0 0 0 0 2 1 1 0 0 0 0 1 12 1 1 0 0 0 24 20 1 0 0 0 0 15 12 1 6 0 0 0 25 19 1 0 0 0 0 26 18 1 0 0 0 0 27 23 1 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 25 1 0 0 0 0 31 21 1 0 0 0 0 32 26 1 0 0 0 0 33 21 1 0 0 0 0 34 31 1 0 0 0 0 35 33 1 0 0 0 0 35 36 1 1 0 0 0 38 37 1 1 0 0 0 38 27 1 0 0 0 0 39 13 1 0 0 0 0 40 14 1 0 0 0 0 41 16 1 0 0 0 0 42 40 1 0 0 0 0 43 39 1 0 0 0 0 44 45 1 0 0 0 0 30 45 1 1 0 0 0 46 41 1 0 0 0 0 47 48 2 0 0 0 0 48 60 1 0 0 0 0 20 49 1 6 0 0 0 22 50 1 1 0 0 0 24 51 1 1 0 0 0 29 52 1 6 0 0 0 28 53 1 6 0 0 0 13 54 1 6 0 0 0 31 55 1 1 0 0 0 14 56 1 1 0 0 0 16 57 1 1 0 0 0 58 35 1 0 0 0 0 32 59 1 1 0 0 0 60 58 1 0 0 0 0 61 35 1 0 0 0 0 62 59 1 0 0 0 0 63 47 1 0 0 0 0 64 47 1 0 0 0 0 17 65 1 6 0 0 0 23 66 1 6 0 0 0 21 67 1 1 0 0 0 33 68 1 6 0 0 0 33 43 1 0 0 0 0 17 34 1 0 0 0 0 16 23 1 0 0 0 0 46 38 1 0 0 0 0 24 28 1 0 0 0 0 22 29 1 0 0 0 0 69 44 1 1 0 0 0 69 70 1 0 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 14 1 0 0 0 0 69 74 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 18 37 1 1 0 0 0 74 75 1 6 0 0 0 19 36 1 1 0 0 0 73 76 1 1 0 0 0 72 77 1 6 0 0 0 20 19 1 0 0 0 0 71 78 1 1 0 0 0 21 13 1 0 0 0 0 78 79 1 0 0 0 0 22 15 1 0 0 0 0 27 80 1 0 0 0 0 23 42 1 0 0 0 0 27 81 1 0 0 0 0 M END > DB06749 > drugbank > [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1 > GZYPWOGIYAIIPV-JBDTYSNRSA-N > C54H92O23 > 1109.307 > 1108.602939222 > 23 > 169 > 119.84152681553071 > 0 > 15 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.24 > -1.5514047776666662 > -3.02 > 1 > 8 > 0 > 12.18513442188506 > 11.751605954439547 > -3.648674371948831 > 377.2900000000001 > 266.8891000000001 > 16 > 0 > 1.07e+00 g/l > [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0^{1,10}.0^{2,6}.0^{11,15}]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate > 0 > DB06749 > nutraceutical > Ginsenoside Rb1 > Arasaponin E1; GRb 1; Gynosaponin C; Gypenoside III; Panax saponin E; Pseudoginsenoside D; Sanchinoside E1 $$$$