| Properties | Image |
|---|
| MNX_ID | MNXM104814 |
 |
| reference | chebi:65830 |
| formula | C35H54O16 |
| global charge | 0 |
| mol weight | 730.801 |
| InChIKey | YPZVRDVFGRFZHP-PCUDRXQQSA-N |
| InChI | InChI=1S/C35H54O16/c1-15-29(51-31-27(43)25(41)24(40)21(12-36)50-31)26(42)28(44)30(48-15)49-17-3-6-33(14-37)23-19(4-7-34(33,45)10-17)35(46)8-5-18(16-9-22(39)47-13-16)32(35,2)11-20(23)38/h9,15,17-21,23-31,36-38,40-46H,3-8,10-14H2,1-2H3/t15-,17+,18-,19-,20-,21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33+,34+,35+/m1/s1 |
| SMILES | C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O16/c1-15-29(51-31-27(43)25(41)24(40)21(12-36)50-31)26(42)28(44)30(48-15)49-17-3-6-33(14-37)23-19(4-7-34(33,45)10-17)35(46)8-5-18(16-9-22(39)47-13-16)32(35,2)11-20(23)38/h9,15,17-21,23-31,36-38,40-46H,3-8,10-14H2,1-2H3/t15-,17+,18-,19-,20-,21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33+,34+,35+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[C@@H:29]([O:51][C@H:31]2[C@H:27]([OH:43])[C@H:25]([OH:41])[C@H:24]([OH:40])[C@@H:21]([CH2:12][OH:36])[O:50]2)[C@@H:26]([OH:42])[C@@H:28]([OH:44])[C@H:30]([O:49][C@H:17]2[CH2:3][CH2:6][C@:33]3([CH2:14][OH:37])[C@@H:23]4[C@@H:19]([CH2:4][CH2:7][C@:34]3([OH:45])[CH2:10]2)[C@@:35]2([OH:46])[CH2:8][CH2:5][C@H:18]([C:16]3=[CH:9][C:22](=[O:39])[O:47][CH2:13]3)[C@@:32]2([CH3:2])[CH2:11][C@H:20]4[OH:38])[O:48]1 |
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