| Properties | Image |
|---|
| MNX_ID | MNXM13237 |
 |
| reference | chebi:32281 |
| formula | C43H58O18 |
| global charge | 0 |
| mol weight | 862.919 |
| InChIKey | YYDWXWUQQJUOKE-WIDMLWBLSA-N |
| InChI | InChI=1S/C43H58O18/c1-17-23(44)8-10-31(56-17)61-43-29(47)15-41(5,53)16-42(43,54)14-25(46)34-35(43)39(51)22-7-6-21(38(50)33(22)40(34)52)27-13-28(37(49)20(4)55-27)60-30-11-9-26(18(2)57-30)59-32-12-24(45)36(48)19(3)58-32/h6-7,17-20,23-28,30-32,36-37,44-46,48-50,53-54H,8-16H2,1-5H3/t17-,18-,19+,20+,23-,24+,25+,26-,27+,28+,30-,31-,32-,36+,37+,41-,42-,43-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@@H]2C[C@H](C3=CC=C4C(=O)C5=C(C(=O)C4=C3O)[C@H](O)C[C@]3(O)C[C@@](C)(O)CC(=O)[C@]53O[C@H]3CC[C@H](O)[C@H](C)O3)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C43H58O18/c1-17-23(44)8-10-31(56-17)61-43-29(47)15-41(5,53)16-42(43,54)14-25(46)34-35(43)39(51)22-7-6-21(38(50)33(22)40(34)52)27-13-28(37(49)20(4)55-27)60-30-11-9-26(18(2)57-30)59-32-12-24(45)36(48)19(3)58-32/h6-7,17-20,23-28,30-32,36-37,44-46,48-50,53-54H,8-16H2,1-5H3/t17-,18-,19+,20+,23-,24+,25+,26-,27+,28+,30-,31-,32-,36+,37+,41-,42-,43-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[C@@H:23]([OH:44])[CH2:8][CH2:10][C@H:31]([O:61][C@:43]23[C:29](=[O:47])[CH2:15][C@:41]([CH3:5])([OH:53])[CH2:16][C@@:42]2([OH:54])[CH2:14][C@@H:25]([OH:46])[C:34]2=[C:35]3[C:39](=[O:51])[C:22]3=[C:33]([C:38]([OH:50])=[C:21]([C@H:27]4[CH2:13][C@@H:28]([O:60][C@H:30]5[CH2:11][CH2:9][C@H:26]([O:59][C@H:32]6[CH2:12][C@@H:24]([OH:45])[C@H:36]([OH:48])[C@@H:19]([CH3:3])[O:58]6)[C@H:18]([CH3:2])[O:57]5)[C@H:37]([OH:49])[C@@H:20]([CH3:4])[O:55]4)[CH:6]=[CH:7]3)[C:40]2=[O:52])[O:56]1 |
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