Mrv1533004191514122D 67 72 0 0 0 0 999 V2000 -4.5748 17.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8298 16.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6367 16.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8917 15.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6986 15.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9536 15.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4016 14.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6565 13.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1045 12.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3594 12.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8074 11.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0623 10.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5103 10.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7652 9.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2132 8.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4681 8.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9161 7.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 6.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 6.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8739 5.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 4.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 4.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9629 4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 4.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6039 3.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 3.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2449 3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 3.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 2.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6574 2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9628 1.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 1.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4226 2.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 3.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8588 2.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3068 2.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6658 2.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 1.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2178 3.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0248 3.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6809 5.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9358 4.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2329 5.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0399 5.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 6.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 7.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 8.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 8.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1513 9.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 9.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7033 10.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 11.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1664 12.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4213 11.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7184 12.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5254 12.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4635 13.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0155 14.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2507 16.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0577 16.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9957 17.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5478 17.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1888 17.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9338 18.1461 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 27 36 1 0 0 0 0 36 37 1 0 0 0 0 25 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 23 42 1 0 0 0 0 42 43 1 0 0 0 0 20 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 18 48 1 0 0 0 0 48 49 1 0 0 0 0 15 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 13 54 1 0 0 0 0 54 55 1 0 0 0 0 10 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 8 60 1 0 0 0 0 60 61 1 0 0 0 0 5 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 3 66 1 0 0 0 0 66 67 1 0 0 0 0 M END > CHEM042115 > chemdb > OCC1OC(CO)(OC2OC(COC3OC(COC4OC(COC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O > InChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2 > NCIHJQNXRKJRMJ-UHFFFAOYSA-N > C36H62O31 > 990.861 > 990.327505216 > 31 > 129 > 94.26004647107075 > 0 > 20 > 0 > 0 > 2-[(6-{[6-({6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -2.63 > -11.612177546333335 > -0.61 > 1 > 6 > 0 > 11.906268716237433 > 11.5219047714334 > -3.678700628633343 > 506.13000000000017 > 198.42730000000012 > 17 > 0 > 2.44e+02 g/l > 2-[(6-{[6-({6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > ajugose $$$$