Mrv0541 05061311512D 65 73 0 0 0 0 999 V2000 -1.9047 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 -1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 -1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7186 0.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 -1.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 2.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2104 2.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0312 2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 3.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 -0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3336 -0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0482 -1.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7626 -0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0478 0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 1.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4767 0.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 1.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3329 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6181 2.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 2.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 3.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 2.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 1.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 3.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 3.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 5.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4772 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4774 -2.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 2.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 25 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 11 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 22 35 1 0 0 0 0 27 53 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 44 1 0 0 0 0 44 49 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 65 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 53 54 1 0 0 0 0 53 58 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 55 60 1 0 0 0 0 56 57 1 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 63 64 1 0 0 0 0 M END > CHEM033642 > chemdb > CC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(CC43CO6)OC(CC5(C)OC3OC(C)C(O)C(O)C3O)C=C(C)C)C2(C)C)C(O)C(O)C1O > InChI=1S/C48H78O17/c1-21(2)16-24-17-46(9,65-41-37(57)34(54)31(51)23(4)60-41)39-25-10-11-28-44(7)14-13-29(43(5,6)27(44)12-15-45(28,8)47(25)19-48(39,64-24)58-20-47)62-42-38(35(55)32(52)26(18-49)61-42)63-40-36(56)33(53)30(50)22(3)59-40/h16,22-42,49-57H,10-15,17-20H2,1-9H3 > FJESIUXDUUJRCG-UHFFFAOYSA-N > C48H78O17 > 927.1227 > 926.52390107 > 17 > 100.84874320596808 > 0 > 9 > 0 > 0 > 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-16-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 1.60 > 1.7026708966666686 > -3.75 > 1 > 9 > 0 > 12.327224236494676 > 11.857503718775156 > -3.6121826294395536 > 255.90999999999997 > 228.96390000000008 > 8 > 0 > 1.66e-01 g/l > 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-16-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > Saponin D > 79190-14-0 $$$$