Mrv0541 02241223362D 65 72 0 0 0 0 999 V2000 3.9298 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2147 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2147 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3561 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 -1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 -1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4145 -1.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 3.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2147 3.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 3.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 2.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 2.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0736 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0736 -2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -3.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 -2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7886 -3.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -4.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 -3.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 3.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 4.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5022 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5022 3.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7886 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5022 -2.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 65 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 63 1 0 0 0 0 48 49 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 63 64 1 0 0 0 0 M END > CHEM025917 > chemdb > CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1 > InChI=1S/C48H74O17/c1-22-32(52)25(51)17-31(60-22)62-30-19-43(2,3)18-24-23-9-10-28-45(5)13-12-29(46(6,21-50)27(45)11-14-48(28,8)47(23,7)16-15-44(24,30)4)63-42-39(36(56)35(55)38(64-42)40(58)59)65-41-37(57)34(54)33(53)26(20-49)61-41/h9,24,26-31,33-39,41-42,49-50,52-57H,10-21H2,1-8H3,(H,58,59) > OJLGASCOGOIOJR-UHFFFAOYSA-N > C48H74O17 > 923.091 > 922.492600942 > 17 > 100.76484644253323 > 0 > 9 > 0 > 0 > 3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 3.00 > 2.3446526760000017 > -4.20 > 1 > 8 > -1 > 8.131852509275815 > 3.3639336200373573 > -3.6483775957536775 > 271.59 > 230.9095000000001 > 9 > 0 > 5.83e-02 g/l > 3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy]-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl}oxy)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > Soyasaponin gamma-G $$$$