| Properties | Image |
|---|
| MNX_ID | MNXM104481 |
 |
| reference | chebi:65759 |
| formula | C60H96O31 |
| global charge | 0 |
| mol weight | 1313.397 |
| InChIKey | JGRYZOSHBHWVJX-QPLFLNKMSA-N |
| InChI | InChI=1S/C60H96O31/c1-55(2)13-14-60(23(15-55)22-7-8-29-56(3)11-10-31(65)59(6,30(56)9-12-57(29,4)58(22,5)16-32(60)66)53(80)90-50-44(78)40(74)35(69)26(19-63)85-50)54(81)91-51-45(79)46(88-48-42(76)38(72)33(67)24(17-61)83-48)37(71)28(87-51)21-82-52-47(41(75)36(70)27(20-64)86-52)89-49-43(77)39(73)34(68)25(18-62)84-49/h7,23-52,61-79H,8-21H2,1-6H3/t23-,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-,49-,50-,51-,52+,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](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](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C60H96O31/c1-55(2)13-14-60(23(15-55)22-7-8-29-56(3)11-10-31(65)59(6,30(56)9-12-57(29,4)58(22,5)16-32(60)66)53(80)90-50-44(78)40(74)35(69)26(19-63)85-50)54(81)91-51-45(79)46(88-48-42(76)38(72)33(67)24(17-61)83-48)37(71)28(87-51)21-82-52-47(41(75)36(70)27(20-64)86-52)89-49-43(77)39(73)34(68)25(18-62)84-49/h7,23-52,61-79H,8-21H2,1-6H3/t23-,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-,49-,50-,51-,52+,56+,57+,58+,59-,60+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:55]1([CH3:2])[CH2:13][CH2:14][C@@:60]2([C:54](=[O:81])[O:91][C@H:51]3[C@H:45]([OH:79])[C@@H:46]([O:88][C@H:48]4[C@H:42]([OH:76])[C@@H:38]([OH:72])[C@H:33]([OH:67])[C@@H:24]([CH2:17][OH:61])[O:83]4)[C@H:37]([OH:71])[C@@H:28]([CH2:21][O:82][C@H:52]4[C@H:47]([O:89][C@H:49]5[C@H:43]([OH:77])[C@@H:39]([OH:73])[C@H:34]([OH:68])[C@@H:25]([CH2:18][OH:62])[O:84]5)[C@@H:41]([OH:75])[C@H:36]([OH:70])[C@@H:27]([CH2:20][OH:64])[O:86]4)[O:87]3)[C@@H:23]([CH2:15]1)[C:22]1=[CH:7][CH2:8][C@@H:29]3[C@@:56]4([CH3:3])[CH2:11][CH2:10][C@H:31]([OH:65])[C@@:59]([CH3:6])([C:53](=[O:80])[O:90][C@H:50]5[C@H:44]([OH:78])[C@@H:40]([OH:74])[C@H:35]([OH:69])[C@@H:26]([CH2:19][OH:63])[O:85]5)[C@@H:30]4[CH2:9][CH2:12][C@@:57]3([CH3:4])[C@:58]1([CH3:5])[CH2:16][C@H:32]2[OH:66] |
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