| Properties | Image |
|---|
| MNX_ID | MNXM105937 |
 |
| reference | chebi:69372 |
| formula | C65H106O31 |
| global charge | 0 |
| mol weight | 1383.532 |
| InChIKey | WPOFJVWZECLVLS-SLQVDRJLSA-N |
| InChI | InChI=1S/C65H106O31/c1-25-36(70)40(74)45(79)54(87-25)94-51-31(21-67)90-53(49(83)44(51)78)86-23-32-39(73)43(77)48(82)57(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(95-55-46(80)41(75)37(71)26(2)88-55)50(29(69)22-85-58)93-56-47(81)42(76)38(72)30(20-66)89-56/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,61-,62-,63+,64+,65-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C65H106O31/c1-25-36(70)40(74)45(79)54(87-25)94-51-31(21-67)90-53(49(83)44(51)78)86-23-32-39(73)43(77)48(82)57(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(95-55-46(80)41(75)37(71)26(2)88-55)50(29(69)22-85-58)93-56-47(81)42(76)38(72)30(20-66)89-56/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,61-,62-,63+,64+,65-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:25]1[C@H:36]([OH:70])[C@@H:40]([OH:74])[C@@H:45]([OH:79])[C@H:54]([O:94][C@@H:51]2[C@@H:31]([CH2:21][OH:67])[O:90][C@@H:53]([O:86][CH2:23][C@@H:32]3[C@@H:39]([OH:73])[C@H:43]([OH:77])[C@@H:48]([OH:82])[C@H:57]([O:96][C:59]([C@:65]45[CH2:17][CH2:15][C:60]([CH3:3])([CH3:4])[CH2:19][C@H:28]4[C:27]4=[CH:9][CH2:10][C@@H:34]6[C@@:61]7([CH3:5])[CH2:13][CH2:12][C@H:35]([O:92][C@H:58]8[C@H:52]([O:95][C@H:55]9[C@H:46]([OH:80])[C@H:41]([OH:75])[C@@H:37]([OH:71])[C@H:26]([CH3:2])[O:88]9)[C@@H:50]([O:93][C@H:56]9[C@H:47]([OH:81])[C@@H:42]([OH:76])[C@H:38]([OH:72])[C@@H:30]([CH2:20][OH:66])[O:89]9)[C@@H:29]([OH:69])[CH2:22][O:85]8)[C@@:62]([CH3:6])([CH2:24][OH:68])[C@@H:33]7[CH2:11][CH2:14][C@@:64]6([CH3:8])[C@:63]4([CH3:7])[CH2:16][CH2:18]5)=[O:84])[O:91]3)[C@H:49]([OH:83])[C@H:44]2[OH:78])[O:87]1 |
|