| Properties | Image |
|---|
| MNX_ID | MNXM114020 |
 |
| reference | chebi:66465 |
| formula | C74H110O35 |
| global charge | 0 |
| mol weight | 1559.659 |
| InChIKey | MHKVFEQHYBEOHA-OMUNMRBTSA-N |
| InChI | InChI=1S/C74H110O35/c1-31-54(104-43(80)16-11-33-9-12-34(96-8)13-10-33)52(89)57(107-63-53(90)56(106-65-58(91)74(95,29-78)30-98-65)55(32(2)99-63)105-60-49(86)46(83)40(27-97-60)103-61-50(87)47(84)44(81)38(25-75)101-61)64(100-31)109-67(94)72-20-19-68(3,4)23-36(72)35-14-15-41-69(5)24-37(79)59(108-62-51(88)48(85)45(82)39(26-76)102-62)71(7,66(92)93)42(69)17-18-70(41,6)73(35,28-77)22-21-72/h9-14,16,31-32,36-42,44-65,75-79,81-91,95H,15,17-30H2,1-8H3,(H,92,93)/b16-11-/t31-,32+,36+,37+,38-,39-,40-,41-,42-,44+,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64+,65+,69-,70-,71+,72+,73+,74-/m1/s1 |
| SMILES | COC1=CC=C(/C=C\C(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(CO)CC4)O[C@@H]2C)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C74H110O35/c1-31-54(104-43(80)16-11-33-9-12-34(96-8)13-10-33)52(89)57(107-63-53(90)56(106-65-58(91)74(95,29-78)30-98-65)55(32(2)99-63)105-60-49(86)46(83)40(27-97-60)103-61-50(87)47(84)44(81)38(25-75)101-61)64(100-31)109-67(94)72-20-19-68(3,4)23-36(72)35-14-15-41-69(5)24-37(79)59(108-62-51(88)48(85)45(82)39(26-76)102-62)71(7,66(92)93)42(69)17-18-70(41,6)73(35,28-77)22-21-72/h9-14,16,31-32,36-42,44-65,75-79,81-91,95H,15,17-30H2,1-8H3,(H,92,93)/b16-11-/t31-,32+,36+,37+,38-,39-,40-,41-,42-,44+,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64+,65+,69-,70-,71+,72+,73+,74-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:31]1[C@H:54]([O:104][C:43](/[CH:16]=[CH:11]\[C:33]2=[CH:10][CH:13]=[C:34]([O:96][CH3:8])[CH:12]=[CH:9]2)=[O:80])[C@H:52]([OH:89])[C@@H:57]([O:107][C@H:63]2[C@H:53]([OH:90])[C@H:56]([O:106][C@H:65]3[C@H:58]([OH:91])[C@:74]([CH2:29][OH:78])([OH:95])[CH2:30][O:98]3)[C@@H:55]([O:105][C@H:60]3[C@H:49]([OH:86])[C@@H:46]([OH:83])[C@H:40]([O:103][C@H:61]4[C@H:50]([OH:87])[C@@H:47]([OH:84])[C@@H:44]([OH:81])[C@@H:38]([CH2:25][OH:75])[O:101]4)[CH2:27][O:97]3)[C@H:32]([CH3:2])[O:99]2)[C@H:64]([O:109][C:67]([C@:72]23[CH2:20][CH2:19][C:68]([CH3:3])([CH3:4])[CH2:23][C@H:36]2[C:35]2=[CH:14][CH2:15][C@@H:41]4[C@@:69]5([CH3:5])[CH2:24][C@H:37]([OH:79])[C@H:59]([O:108][C@H:62]6[C@H:51]([OH:88])[C@@H:48]([OH:85])[C@H:45]([OH:82])[C@@H:39]([CH2:26][OH:76])[O:102]6)[C@@:71]([CH3:7])([C:66](=[O:92])[OH:93])[C@@H:42]5[CH2:17][CH2:18][C@@:70]4([CH3:6])[C@:73]2([CH2:28][OH:77])[CH2:22][CH2:21]3)=[O:94])[O:100]1 |
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