ACD/Labs01132312333D 68 75 0 0 1 0 0 0 0 0 1 V2000 14.6495 -24.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0158 -22.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1676 -20.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4977 -22.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1676 -24.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 -25.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0422 -24.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3194 -20.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0422 -21.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6231 -22.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6231 -24.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4712 -26.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3194 -28.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7749 -28.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7749 -30.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4712 -32.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1676 -32.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4085 -22.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2567 -21.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1049 -22.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5604 -21.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1049 -23.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4085 -23.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9531 -24.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2567 -24.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5604 -20.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2567 -20.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9531 -21.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7122 -19.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7122 -22.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8640 -20.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8013 -23.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8640 -21.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8013 -22.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4085 -19.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7122 -18.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0158 -19.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8640 -17.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6181 -25.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2881 -25.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0158 -18.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0158 -20.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5290 -16.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1990 -16.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4977 -23.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 -24.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1676 -22.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 -23.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 -21.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3194 -22.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 -22.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4712 -22.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3194 -24.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4712 -24.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3194 -26.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4712 -28.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6230 -28.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6230 -30.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3194 -30.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4712 -30.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1676 -30.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1049 -24.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1049 -20.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2567 -22.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4085 -20.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7122 -20.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9531 -26.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5604 -22.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32 1 1 1 0 0 0 45 1 1 1 0 0 0 2 42 1 0 0 0 0 47 2 1 1 0 0 0 3 42 2 0 0 0 0 4 45 1 0 0 0 0 4 49 1 0 0 0 0 5 47 1 0 0 0 0 5 53 1 0 0 0 0 46 6 1 6 0 0 0 48 7 1 1 0 0 0 50 8 1 6 0 0 0 51 9 1 1 0 0 0 52 10 1 1 0 0 0 54 11 1 6 0 0 0 12 55 1 0 0 0 0 56 12 1 1 0 0 0 13 56 1 0 0 0 0 13 59 1 0 0 0 0 57 14 1 6 0 0 0 58 15 1 1 0 0 0 60 16 1 6 0 0 0 17 61 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 21 26 1 0 0 0 0 21 30 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 62 1 6 0 0 0 23 25 1 0 0 0 0 24 32 1 0 0 0 0 24 39 1 6 0 0 0 24 40 1 0 0 0 0 26 29 1 0 0 0 0 26 35 2 0 0 0 0 27 35 1 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 29 36 1 0 0 0 0 30 33 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 31 42 1 1 0 0 0 32 34 1 0 0 0 0 36 38 1 0 0 0 0 37 41 1 0 0 0 0 38 41 1 0 0 0 0 38 43 1 0 0 0 0 38 44 1 0 0 0 0 45 46 1 0 0 0 0 46 48 1 0 0 0 0 47 50 1 0 0 0 0 48 51 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 52 54 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 60 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 1 0 0 0 20 63 1 1 0 0 0 19 64 1 6 0 0 0 18 65 1 1 0 0 0 29 66 1 1 0 0 0 39 67 1 0 0 0 0 21 68 1 6 0 0 0 M END > CHEBI:194124 > akebia saponin D > A triterpenoid saponin that is hederagenin attached to a α-L-arabinopyranosyl residue at position 3 via a glycosidic linkage and a 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl residue at position 28 via an ester linkage. It is the active ingredient found in the traditional Chinese herb Radix Dipsaci. > 3 > tauroside St-G0-1; leiyemudanoside A; hederagenin 3-O-alpha-L-arabinopyranosyl-28-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside; asperosaponin VI; asperosaponin VI; ASA VI; 3beta-(alpha-L-arabinopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid 6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl ester > 1-O-[3beta-(alpha-L-arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose > C47H76O18 > 929.107 > 928.50317 > 0 > [H]C12CC(C)(C)CCC1(CCC1(C)C2=CCC2([H])C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(CO)C3([H])CCC12C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1 > CCRXMHCQWYVXTE-HMRSNRLKSA-N > 39524-08-8 > 39524-08-8 > 19023535; 30092401; 30508505; 30808589; 30939835; 31193169; 31301930; 32323648; 32344355; 32488348; 33100875; 33241814; 33249542; 33446173; 33652261; 33935711; 34526673; 34901550; 35228043; 35310016; 35610721; 35783512; 36110522; 36234773; 36382134; 36471972; 36550906; 36595050 $$$$