Marvin 12031216522D 58 65 0 0 1 0 999 V2000 4.6942 -18.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6942 -18.8515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4045 -19.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4045 -17.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1187 -18.8515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8292 -19.2662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5456 -18.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -18.0298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5571 -16.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8356 -16.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 -16.7981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2607 -17.6177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0399 -17.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 -17.2210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0495 -16.5512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9851 -19.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -19.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 -18.0257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8338 -17.6117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1194 -17.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 -15.7691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0941 -15.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1026 -14.6911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3204 -14.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8258 -15.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9802 -19.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2524 -18.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2608 -15.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 -17.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7746 -14.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5254 -14.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6958 -13.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4864 -13.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0231 -16.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8444 -16.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8233 -20.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5415 -17.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1117 -19.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 -19.4761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1658 -20.3032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4554 -19.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8808 -20.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -20.7138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7798 -19.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -21.5470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7417 -20.2975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4501 -21.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -21.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 -21.9616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0267 -20.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 -22.7663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5761 -22.7844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3061 -21.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 -23.1887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4251 -23.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 -23.2126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -24.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -22.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 28 1 1 0 0 0 1 2 1 0 0 0 0 14 29 1 1 0 0 0 1 4 1 0 0 0 0 23 30 1 1 0 0 0 5 6 1 0 0 0 0 30 31 1 0 0 0 0 12 13 1 0 0 0 0 30 32 1 0 0 0 0 13 14 1 0 0 0 0 30 33 1 0 0 0 0 14 15 1 0 0 0 0 21 34 1 6 0 0 0 15 11 1 0 0 0 0 15 35 1 6 0 0 0 6 7 1 0 0 0 0 3 16 1 0 0 0 0 7 8 1 0 0 0 0 3 17 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 1 0 0 0 18 20 1 1 0 0 0 19 8 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 18 4 1 0 0 0 0 6 36 1 6 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 19 10 1 0 0 0 0 8 12 1 0 0 0 0 11 9 1 0 0 0 0 9 10 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 21 1 0 0 0 0 11 12 1 0 0 0 0 2 26 1 1 0 0 0 18 5 1 0 0 0 0 8 37 1 1 0 0 0 12 27 1 6 0 0 0 5 38 1 6 0 0 0 45 49 1 0 0 0 0 46 50 1 6 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 49 53 1 6 0 0 0 51 54 1 0 0 0 0 51 55 1 1 0 0 0 52 56 1 1 0 0 0 54 57 1 6 0 0 0 44 46 1 0 0 0 0 52 54 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 6 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 45 42 1 1 0 0 0 43 46 1 0 0 0 0 43 47 1 1 0 0 0 45 48 1 0 0 0 0 39 26 1 1 0 0 0 55 58 1 0 0 0 0 M END > CHEBI:2897 > astragaloside III > A triterpenoid saponin that is cycloastragenol with a 2-O-β-D-glucopyranosyl-β-D-xylopyranosyl moiety attached at position 3 via a glycosidic linkage. > 3 > (3beta,6alpha,9beta,16beta,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-xylopyranoside > C41H68O14 > 784.97020 > 784.46091 > 0 > [H][C@@]12C[C@H](O)[C@@]3([H])C(C)(C)[C@H](CC[C@@]33C[C@@]13CC[C@]1(C)[C@]([H])([C@@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O1)C(C)(C)O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1 > FVFSMBDVZVUETN-BQAOMNQWSA-N > 84687-42-3 > 5697310 > C08924 > C00003500 > 22902230 $$$$