| Properties | Image |
|---|
| MNX_ID | MNXM1185880 |
 |
| reference | envipathM:...061b37ed934e |
| formula | C37H65NO16 |
| global charge | 0 |
| mol weight | 779.918 |
| InChIKey | RQGNJDYNWWQNBI-WBPMKSRPSA-N |
| InChI | InChI=1S/C37H65NO16/c1-18-16-33(5,45)28(54-30-25(40)22(38(10)11)15-19(2)50-30)20(3)29(53-24-17-34(6,49-12)27(42)21(4)51-24)37(9,48)32(44)52-23(13-14-39)35(7,46)31(43)36(8,47)26(18)41/h14,18-25,27-31,40,42-43,45-48H,13,15-17H2,1-12H3/t18-,19-,20-,21+,22+,23-,24+,25-,27+,28-,29+,30+,31+,33-,34-,35-,36-,37+/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@](C)(O)[C@@H](CC=O)OC(=O)[C@@]2(C)O)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO16/c1-18-16-33(5,45)28(54-30-25(40)22(38(10)11)15-19(2)50-30)20(3)29(53-24-17-34(6,49-12)27(42)21(4)51-24)37(9,48)32(44)52-23(13-14-39)35(7,46)31(43)36(8,47)26(18)41/h14,18-25,27-31,40,42-43,45-48H,13,15-17H2,1-12H3/t18-,19-,20-,21+,22+,23-,24+,25-,27+,28-,29+,30+,31+,33-,34-,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:16][C@@:33]([CH3:5])([OH:45])[C@H:28]([O:54][C@H:30]2[C@H:25]([OH:40])[C@@H:22]([N:38]([CH3:10])[CH3:11])[CH2:15][C@@H:19]([CH3:2])[O:50]2)[C@@H:20]([CH3:3])[C@H:29]([O:53][C@H:24]2[CH2:17][C@@:34]([CH3:6])([O:49][CH3:12])[C@@H:27]([OH:42])[C@H:21]([CH3:4])[O:51]2)[C@:37]([CH3:9])([OH:48])[C:32](=[O:44])[O:52][C@H:23]([CH2:13][CH:14]=[O:39])[C@@:35]([CH3:7])([OH:46])[C@H:31]([OH:43])[C@:36]([CH3:8])([OH:47])[C:26]1=[O:41] |
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