Mrv0541 05061309172D 55 61 0 0 0 0 999 V2000 0.0436 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 1.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4489 -0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 1.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 2.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2664 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 2.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7466 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1156 4.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1642 4.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7819 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 4.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 4.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5134 -2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 4.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9481 3.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5487 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 4.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 3.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8525 -1.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 3.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5215 3.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 3.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4601 -0.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4428 -4.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8054 4.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 4.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2096 -2.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 5.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6849 3.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2801 -1.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7376 4.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3054 2.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 -0.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1916 0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 4.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0857 -2.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 3.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 3.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -1.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 2.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 16 1 2 0 0 0 0 16 12 1 0 0 0 0 17 2 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 6 1 0 0 0 0 21 7 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 35 3 1 0 0 0 0 35 8 1 0 0 0 0 35 20 1 0 0 0 0 35 21 1 0 0 0 0 36 4 1 0 0 0 0 36 9 1 0 0 0 0 36 20 1 0 0 0 0 36 34 1 0 0 0 0 37 10 1 0 0 0 0 37 12 1 0 0 0 0 37 15 1 0 0 0 0 37 21 1 0 0 0 0 38 11 1 0 0 0 0 38 15 1 0 0 0 0 38 16 1 0 0 0 0 39 13 1 0 0 0 0 40 14 1 0 0 0 0 41 22 1 0 0 0 0 42 23 1 0 0 0 0 43 24 1 0 0 0 0 44 25 1 0 0 0 0 45 26 1 0 0 0 0 46 27 1 0 0 0 0 47 28 1 0 0 0 0 48 29 1 0 0 0 0 49 34 2 0 0 0 0 50 17 1 0 0 0 0 50 31 1 0 0 0 0 51 18 1 0 0 0 0 51 32 1 0 0 0 0 52 19 1 0 0 0 0 52 33 1 0 0 0 0 53 30 1 0 0 0 0 53 31 1 0 0 0 0 54 32 1 0 0 0 0 54 34 1 0 0 0 0 55 33 1 0 0 0 0 55 38 1 0 0 0 0 M END > CHEM030372 > chemdb > CC1OC(OC2C(O)C(O)C(CO)OC2OC23CC4(CC2=C)CCC2C(C)(CCCC2(C)C(=O)OC2OC(CO)C(O)C(O)C2O)C4CC3)C(O)C(O)C1O > InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3 > CANAPGLEBDTCAF-UHFFFAOYSA-N > C38H60O17 > 788.8728 > 788.383050494 > 16 > 83.01498741662161 > 0 > 10 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate > -1.20 > -1.1142984186666667 > -2.54 > 1 > 7 > 0 > 12.315096693702387 > 11.84611836293568 > -3.6121826294395802 > 274.75 > 184.60580000000007 > 9 > 0 > 2.28e+00 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate > 0 > Dulcoside A > 64432-06-0 $$$$