Mrv0541 02011304052D 68 75 0 0 0 0 999 V2000 -3.9286 -10.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -10.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -11.6482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9286 -12.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2141 -11.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2141 -10.8232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4996 -10.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 -12.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 -11.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 -10.8232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7852 -9.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 -9.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -10.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0707 -9.5857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0707 -7.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 -9.1732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3562 -8.3482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3582 -7.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 -8.3482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7872 -7.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -9.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -8.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5119 -12.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5161 -12.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2141 -9.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 -9.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -8.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 -8.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 -7.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3005 -10.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -11.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2306 -11.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 -10.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 -10.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7865 -12.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5009 -12.4732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5009 -13.2982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7865 -13.7107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0720 -13.2982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0720 -12.4732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3575 -12.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7865 -14.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2154 -13.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2154 -12.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9299 -12.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -11.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -12.1023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3495 -12.1023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7620 -11.3878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3495 -10.6734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5245 -10.6734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1120 -9.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -9.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -11.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -12.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -12.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -13.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 -14.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 -15.7732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3575 -16.1857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6430 -15.7732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6430 -14.9482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3575 -14.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3575 -13.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9286 -14.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 -16.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3575 -17.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7864 -16.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 1 0 0 0 0 7 6 1 0 0 0 0 6 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 7 10 1 0 0 0 0 12 7 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 11 14 1 0 0 0 0 15 17 1 0 0 0 0 18 17 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 0 0 0 0 19 52 1 6 0 0 0 21 22 1 0 0 0 0 20 22 2 0 0 0 0 3 41 1 1 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 6 25 1 1 0 0 0 10 26 1 1 0 0 0 14 27 1 1 0 0 0 16 28 1 1 0 0 0 17 28 1 1 0 0 0 22 29 1 0 0 0 0 30 13 1 0 0 0 0 13 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 30 33 1 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 1 0 0 0 39 64 1 6 0 0 0 38 42 1 1 0 0 0 37 43 1 6 0 0 0 36 44 1 1 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 46 51 1 0 0 0 0 51 52 1 1 0 0 0 50 53 1 6 0 0 0 49 54 1 1 0 0 0 48 55 1 6 0 0 0 47 56 1 1 0 0 0 56 57 1 0 0 0 0 58 59 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 58 63 1 0 0 0 0 63 64 1 1 0 0 0 62 65 1 6 0 0 0 61 66 1 6 0 0 0 60 67 1 1 0 0 0 59 68 1 6 0 0 0 M END > CHEM032412 > chemdb > [H][C@@]1(CCC2[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](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)C3CC[C@@]2(C)[C@@]11COC(=O)C1)[C@@H]1O[C@@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C > InChI=1S/C48H78O19/c1-21(2)15-23(62-42-38(59)35(56)32(53)25(18-49)63-42)16-47(8)40(67-47)24-9-10-28-45(6)13-12-29(44(4,5)27(45)11-14-46(28,7)48(24)17-30(51)60-20-48)65-43-39(36(57)33(54)26(19-50)64-43)66-41-37(58)34(55)31(52)22(3)61-41/h15,22-29,31-43,49-50,52-59H,9-14,16-20H2,1-8H3/t22-,23-,24+,25+,26+,27?,28?,29-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42+,43-,45-,46+,47-,48-/m0/s1 > DPMKYRJUMRDZSZ-FIWJQJQPSA-N > C48H78O19 > 959.1215 > 958.513730314 > 18 > 102.09439409515473 > 0 > 10 > 0 > 0 > (2'S,3S,4'bR,7'S,10'aR)-7'-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-2'-[(2S,3S)-3-methyl-3-[(2R)-4-methyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]oxiran-2-yl]-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-5-one > 0.58 > 0.04303419833333383 > -3.47 > 1 > 8 > 0 > 12.32017609471151 > 11.852303336008855 > -3.6121826294395536 > 296.51 > 232.46540000000007 > 12 > 0 > 3.23e-01 g/l > (2'S,3S,4'bR,7'S,10'aR)-7'-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-2'-[(2S,3S)-3-methyl-3-[(2R)-4-methyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]oxiran-2-yl]-decahydrospiro[oxolane-3,1'-phenanthrene]-5-one > 0 > Hoduloside I $$$$