| Properties | Image |
|---|
| MNX_ID | MNXM104480 |
 |
| reference | chebi:65758 |
| formula | C60H94O29 |
| global charge | 0 |
| mol weight | 1279.383 |
| InChIKey | NMZXWJLQTSMVIG-YDKKYBOASA-N |
| InChI | InChI=1S/C60H94O29/c1-54(2)14-16-60(17-15-57(5)25(26(60)18-54)8-9-31-56(4)12-11-33(63)59(7,52(77)78)32(56)10-13-58(31,57)6)53(79)89-50-45(76)46(87-48-43(74)40(71)36(67)27(21-61)83-48)39(70)30(85-50)24-82-51-47(88-49-44(75)41(72)37(68)28(22-62)84-49)42(73)38(69)29(86-51)23-81-35(66)20-55(3,80)19-34(64)65/h8,26-33,36-51,61-63,67-76,80H,9-24H2,1-7H3,(H,64,65)(H,77,78)/t26-,27+,28+,29+,30+,31+,32+,33-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48-,49-,50-,51+,55-,56+,57+,58+,59-,60-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[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](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C60H94O29/c1-54(2)14-16-60(17-15-57(5)25(26(60)18-54)8-9-31-56(4)12-11-33(63)59(7,52(77)78)32(56)10-13-58(31,57)6)53(79)89-50-45(76)46(87-48-43(74)40(71)36(67)27(21-61)83-48)39(70)30(85-50)24-82-51-47(88-49-44(75)41(72)37(68)28(22-62)84-49)42(73)38(69)29(86-51)23-81-35(66)20-55(3,80)19-34(64)65/h8,26-33,36-51,61-63,67-76,80H,9-24H2,1-7H3,(H,64,65)(H,77,78)/t26-,27+,28+,29+,30+,31+,32+,33-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48-,49-,50-,51+,55-,56+,57+,58+,59-,60-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:54]1([CH3:2])[CH2:14][CH2:16][C@:60]2([C:53](=[O:79])[O:89][C@H:50]3[C@H:45]([OH:76])[C@@H:46]([O:87][C@H:48]4[C@H:43]([OH:74])[C@@H:40]([OH:71])[C@H:36]([OH:67])[C@@H:27]([CH2:21][OH:61])[O:83]4)[C@H:39]([OH:70])[C@@H:30]([CH2:24][O:82][C@H:51]4[C@H:47]([O:88][C@H:49]5[C@H:44]([OH:75])[C@@H:41]([OH:72])[C@H:37]([OH:68])[C@@H:28]([CH2:22][OH:62])[O:84]5)[C@@H:42]([OH:73])[C@H:38]([OH:69])[C@@H:29]([CH2:23][O:81][C:35]([CH2:20][C@:55]([CH3:3])([CH2:19][C:34](=[O:64])[OH:65])[OH:80])=[O:66])[O:86]4)[O:85]3)[CH2:17][CH2:15][C@:57]3([CH3:5])[C:25](=[CH:8][CH2:9][C@@H:31]4[C@@:56]5([CH3:4])[CH2:12][CH2:11][C@H:33]([OH:63])[C@@:59]([CH3:7])([C:52](=[O:77])[OH:78])[C@@H:32]5[CH2:10][CH2:13][C@:58]43[CH3:6])[C@@H:26]2[CH2:18]1 |
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