Mrv1533004241505192D 54 60 0 0 0 0 999 V2000 0.5483 -1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3337 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 -1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 -1.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9043 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 -2.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 -2.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8959 -3.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -2.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -2.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -3.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 -4.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -4.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 -4.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3357 -5.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 -3.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2864 -3.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 -1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 -2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0457 -2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5994 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3466 -3.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5401 -3.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2874 -4.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -3.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -3.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1614 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -3.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 -2.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 -1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4562 -1.3799 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0678 -2.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7811 -2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7788 -1.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4921 -1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4898 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2077 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2100 -2.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9256 -2.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4967 -2.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 -3.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2146 -4.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9279 -3.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6435 -4.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3569 -3.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3546 -2.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -4.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3614 -5.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9325 -5.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9348 -6.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2169 -4.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5036 -5.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 11 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 19 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 5 27 1 0 0 0 0 27 28 2 0 0 0 0 21 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 20 31 1 0 0 0 0 31 32 2 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 34 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 46 47 1 0 0 0 0 47 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 44 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > NP0329872 > NP-MRD > CC1COC2(CC1OC(=O)C1=CC=C(O)C=C1)OC1C3C(CC(O)C1(O)C2=O)C(CS3=O)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O > InChI=1S/C34H46O19S/c1-12-10-47-33(8-17(12)49-29(43)14-3-5-15(36)6-4-14)32(44)34(45)20(37)7-16-19(11-54(46)27(16)28(34)53-33)51-31-26(24(41)21(38)13(2)48-31)52-30-25(42)23(40)22(39)18(9-35)50-30/h3-6,12-13,16-28,30-31,35-42,45H,7-11H2,1-2H3 > WUZPPQVIOBHGNW-UHFFFAOYSA-N > C34H46O19S > 790.78 > 790.235400435 > 18 > 100 > 76.53963765610983 > 0 > 9 > 0 > 0 > 10'-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6',7'-dihydroxy-5-methyl-5',12'-dioxo-3'-oxa-12'λ⁴-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecane]-4-yl 4-hydroxybenzoate > -0.68 > -2.616146010333336 > -1.91 > 1 > 7 > 0 > 11.038957617881733 > 8.495215184274358 > -3.357605674120091 > 297.89 > 176.62840000000006 > 8 > 0 > 9.70e+00 g/l > 10'-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6',7'-dihydroxy-5-methyl-5',12'-dioxo-3'-oxa-12'λ⁴-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecane]-4-yl 4-hydroxybenzoate > 0 > NP0329872 > 10'-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6',7'-dihydroxy-4-(4-hydroxybenzoyloxy)-5-methyl-5'-oxo-3'-oxa-12'-thiaspiro[oxane-2,4'-tricyclo[7.3.0.0²,⁶]dodecan]-12'-ium-12'-olate $$$$