| Properties | Image |
MNX_ID | MNXM102535 |
 |
reference | chebi:71474 |
formula | C48H82O41 |
global charge | 0 |
mol weight | 1315.143 |
InChIKey | KJNTXFMZEADGNA-ZNENJQCSSA-N |
InChI | InChI=1S/C48H82O41/c49-1-9-17(55)25(63)31(69)43(78-9)85-37-24(62)16(8-76-46-38(28(66)20(58)12(4-52)81-46)87-44-32(70)26(64)18(56)10(2-50)79-44)84-42(35(37)73)75-7-15-23(61)36(34(72)41(74)77-15)86-47-40(30(68)22(60)13(5-53)82-47)89-48-39(29(67)21(59)14(6-54)83-48)88-45-33(71)27(65)19(57)11(3-51)80-45/h9-74H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46+,47-,48-/m1/s1 |
SMILES | OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](OC[C@H]3O[C@H](O)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
MNX internals
InChI (mnx) | InChI=1/C48H82O41/c49-1-9-17(55)25(63)31(69)43(78-9)85-37-24(62)16(8-76-46-38(28(66)20(58)12(4-52)81-46)87-44-32(70)26(64)18(56)10(2-50)79-44)84-42(35(37)73)75-7-15-23(61)36(34(72)41(74)77-15)86-47-40(30(68)22(60)13(5-53)82-47)89-48-39(29(67)21(59)14(6-54)83-48)88-45-33(71)27(65)19(57)11(3-51)80-45/h9-74H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46+,47-,48-/m1/s1 |
 |
SMILES (mnx) | [CH2:1]([C@@H:9]1[C@@H:17]([OH:55])[C@H:25]([OH:63])[C@H:31]([OH:69])[C@@H:43]([O:85][C@H:37]2[C@H:24]([OH:62])[C@@H:16]([CH2:8][O:76][C@@H:46]3[C@@H:38]([O:87][C@@H:44]4[C@@H:32]([OH:70])[C@@H:26]([OH:64])[C@H:18]([OH:56])[C@@H:10]([CH2:2][OH:50])[O:79]4)[C@@H:28]([OH:66])[C@H:20]([OH:58])[C@@H:12]([CH2:4][OH:52])[O:81]3)[O:84][C@H:42]([O:75][CH2:7][C@@H:15]3[C@@H:23]([OH:61])[C@H:36]([O:86][C@@H:47]4[C@@H:40]([O:89][C@@H:48]5[C@@H:39]([O:88][C@@H:45]6[C@@H:33]([OH:71])[C@@H:27]([OH:65])[C@H:19]([OH:57])[C@@H:11]([CH2:3][OH:51])[O:80]6)[C@@H:29]([OH:67])[C@H:21]([OH:59])[C@@H:14]([CH2:6][OH:54])[O:83]5)[C@@H:30]([OH:68])[C@H:22]([OH:60])[C@@H:13]([CH2:5][OH:53])[O:82]4)[C@H:34]([OH:72])[C@@H:41]([OH:74])[O:77]3)[C@H:35]2[OH:73])[O:78]1)[OH:49] |
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