| Properties | Image |
|---|
| MNX_ID | MNXM160949 |
 |
| reference | chebi:78719 |
| formula | C30H47NO22 |
| global charge | 0 |
| mol weight | 773.691 |
| InChIKey | RJCKAPFLVMTBQJ-LNUQUYENSA-N |
| InChI | InChI=1S/C30H47NO22/c1-7-14(36)17(39)23(52-28-19(41)21(47-10(4)34)15(37)8(2)45-28)29(46-7)51-22-18(40)24(48-11(5)35)30(53-25(22)26(42)43)50-20-13(31-9(3)33)27(44)49-12(6-32)16(20)38/h7-8,12-25,27-30,32,36-41,44H,6H2,1-5H3,(H,31,33)(H,42,43)/t7-,8-,12+,13+,14-,15-,16-,17+,18-,19+,20+,21+,22+,23+,24+,25-,27+,28-,29+,30+/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]3O)[C@H](O)[C@H]2OC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H47NO22/c1-7-14(36)17(39)23(52-28-19(41)21(47-10(4)34)15(37)8(2)45-28)29(46-7)51-22-18(40)24(48-11(5)35)30(53-25(22)26(42)43)50-20-13(31-9(3)33)27(44)49-12(6-32)16(20)38/h7-8,12-25,27-30,32,36-41,44H,6H2,1-5H3,(H,31,33)(H,42,43)/t7-,8-,12+,13+,14-,15-,16-,17+,18-,19+,20+,21+,22+,23+,24+,25-,27+,28-,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]1[C@H:14]([OH:36])[C@@H:17]([OH:39])[C@@H:23]([O:52][C@H:28]2[C@H:19]([OH:41])[C@H:21]([O:47][C:10]([CH3:4])=[O:34])[C@@H:15]([OH:37])[C@H:8]([CH3:2])[O:45]2)[C@@H:29]([O:51][C@@H:22]2[C@H:18]([OH:40])[C@@H:24]([O:48][C:11]([CH3:5])=[O:35])[C@H:30]([O:50][C@@H:20]3[C@@H:13]([N:31]=[C:9]([CH3:3])[OH:33])[C@H:27]([OH:44])[O:49][C@H:12]([CH2:6][OH:32])[C@@H:16]3[OH:38])[O:53][C@@H:25]2[C:26](=[O:42])[OH:43])[O:46]1 |
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