| Properties | Image |
|---|
| MNX_ID | MNXM47574 |
 |
| reference | chebi:138875 |
| formula | C59H88O22 |
| global charge | 0 |
| mol weight | 1149.331 |
| InChIKey | HZQLSCOFJKYUJZ-YHTZNGRXSA-N |
| InChI | InChI=1S/C59H88O22/c1-28(61)36-21-23-59(68)37-18-17-34-24-35(20-22-57(34,6)44(37)52(75-32(5)62)54(58(36,59)7)78-41(63)19-16-33-14-12-11-13-15-33)76-42-25-38(69-8)49(29(2)72-42)79-43-26-39(70-9)50(30(3)73-43)80-56-48(67)53(71-10)51(31(4)74-56)81-55-47(66)46(65)45(64)40(27-60)77-55/h11-16,19,29-31,34-40,42-56,60,64-68H,17-18,20-27H2,1-10H3/b19-16+/t29-,30-,31-,34+,35+,36-,37-,38+,39-,40-,42+,43+,44-,45-,46+,47-,48-,49-,50-,51-,52+,53+,54-,55+,56+,57+,58+,59+/m1/s1 |
| SMILES | CO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5[C@H](OC(C)=O)[C@@H](OC(=O)/C=C/C5=CC=CC=C5)[C@]5(C)[C@@H](C(C)=O)CC[C@]65O)C4)O[C@@H]3C)C[C@H]2OC)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H88O22/c1-28(61)36-21-23-59(68)37-18-17-34-24-35(20-22-57(34,6)44(37)52(75-32(5)62)54(58(36,59)7)78-41(63)19-16-33-14-12-11-13-15-33)76-42-25-38(69-8)49(29(2)72-42)79-43-26-39(70-9)50(30(3)73-43)80-56-48(67)53(71-10)51(31(4)74-56)81-55-47(66)46(65)45(64)40(27-60)77-55/h11-16,19,29-31,34-40,42-56,60,64-68H,17-18,20-27H2,1-10H3/b19-16+/t29-,30-,31-,34+,35+,36-,37-,38+,39-,40-,42+,43+,44-,45-,46+,47-,48-,49-,50-,51-,52+,53+,54-,55+,56+,57+,58+,59+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:28]([C@H:36]1[CH2:21][CH2:23][C@:59]2([OH:68])[C@@H:37]3[CH2:18][CH2:17][C@H:34]4[CH2:24][C@@H:35]([O:76][C@H:42]5[CH2:25][C@H:38]([O:69][CH3:8])[C@H:49]([O:79][C@H:43]6[CH2:26][C@@H:39]([O:70][CH3:9])[C@H:50]([O:80][C@H:56]7[C@H:48]([OH:67])[C@H:53]([O:71][CH3:10])[C@H:51]([O:81][C@H:55]8[C@H:47]([OH:66])[C@@H:46]([OH:65])[C@H:45]([OH:64])[C@@H:40]([CH2:27][OH:60])[O:77]8)[C@@H:31]([CH3:4])[O:74]7)[C@@H:30]([CH3:3])[O:73]6)[C@@H:29]([CH3:2])[O:72]5)[CH2:20][CH2:22][C@:57]4([CH3:6])[C@H:44]3[C@H:52]([O:75][C:32]([CH3:5])=[O:62])[C@@H:54]([O:78][C:41](/[CH:19]=[CH:16]/[C:33]3=[CH:14][CH:12]=[CH:11][CH:13]=[CH:15]3)=[O:63])[C@:58]12[CH3:7])=[O:61] |
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