Mrv0541 02241211382D 63 71 0 0 0 0 999 V2000 -2.2611 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 2.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 2.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6937 3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 4.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 4.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 0.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 5.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 4.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1263 3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8432 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1263 2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 2.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4064 0.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1262 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1262 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4064 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4064 -1.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8432 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4064 -2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1262 -2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1262 -3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4064 -4.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 -3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 -2.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -4.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -3.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4064 -5.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8432 -4.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8432 -2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -2.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5068 -2.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5068 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 -2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 -0.0902 0.0000 O 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 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 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 55 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 45 54 1 0 0 0 0 46 47 1 0 0 0 0 46 53 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 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 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 59 62 1 0 0 0 0 60 63 1 0 0 0 0 M END > CHEM029008 > chemdb > CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1 > InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)58-20-45)60-40-36(62-38-33(53)30(50)24(48)17-56-38)35(25(49)18-57-40)61-39-34(54)32(52)31(51)26(16-47)59-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3 > DZAMLDNPMAQVFR-UHFFFAOYSA-N > C46H74O17 > 899.0696 > 898.492600942 > 17 > 96.60420592875792 > 0 > 9 > 0 > 0 > 2-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0.79 > 0.8695208473333327 > -3.45 > 1 > 9 > 0 > 12.420073696552016 > 11.909323042045754 > -3.0105410470324854 > 255.90999999999997 > 220.12630000000004 > 8 > 0 > 3.19e-01 g/l > 2-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Hovenoside I > 68665-70-3 $$$$