Mrv1572004031622122D 79 86 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 1 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 0 0 0 0 0 0 0 0 0 0 6.0737 5.2994 0.0000 C 0 0 1 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 -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 1 0 0 0 20 19 1 0 0 0 0 21 13 1 0 0 0 0 22 15 1 0 0 0 0 27 78 1 0 0 0 0 23 42 1 0 0 0 0 27 79 1 0 0 0 0 M END > DB06748 > 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]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,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-,50-,51+,52+,53-/m0/s1 > NODILNFGTFIURN-GZPRDHCNSA-N > C53H90O22 > 1079.281 > 1078.592374538 > 22 > 165 > 116.98510814442241 > 0 > 14 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-{[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-16-hydroxy-2,6,6,10,11-pentamethyl-14-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.02 > -0.9210698356666672 > -3.14 > 1 > 8 > 0 > 12.186237607957729 > 11.752724815252483 > -3.6486743719488306 > 357.06000000000006 > 260.9266000000001 > 15 > 0 > 7.84e-01 g/l > (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-{[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-16-hydroxy-2,6,6,10,11-pentamethyl-14-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > DB06748 > nutraceutical > Ginsenoside C > ginsenoside Rb2 $$$$