Mrv0541 02241215122D 66 72 0 0 0 0 999 V2000 5.1432 3.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 -1.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0557 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3579 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3579 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 -0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 1.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 -1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -1.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 -0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5018 2.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9505 3.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2048 4.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 -1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -1.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 -0.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6445 0.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -4.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 -4.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 -4.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 -5.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5018 -3.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7868 -2.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0718 -3.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3595 -2.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6445 -3.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -2.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -1.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6445 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 -0.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0732 -4.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7868 -4.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 -1.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4572 -2.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 1.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 2.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 3.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 3.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 4.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 5.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 2.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 2.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 3.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5266 4.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 5.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 3.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 2 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 4 10 1 0 0 0 0 4 54 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 66 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 52 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 42 1 0 0 0 0 36 37 1 0 0 0 0 36 48 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 40 48 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 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 48 49 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 61 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 63 1 0 0 0 0 58 59 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 62 65 1 0 0 0 0 63 64 1 0 0 0 0 M END > CHEM029659 > chemdb > CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C > InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3 > RLDVZILFNVRJTL-UHFFFAOYSA-N > C48H82O18 > 947.1539 > 946.55011582 > 18 > 104.11205179369155 > 0 > 12 > 0 > 0 > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.73 > 0.21943086799999983 > -3.39 > 1 > 7 > 0 > 12.31326468896987 > 11.847210111164957 > -3.6483775957536517 > 298.14 > 234.4758000000001 > 13 > 0 > 3.90e-01 g/l > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Ginsenoside Rd > 52705-93-8 $$$$